Acta Crystallographica Section A
Acta Crystallographica
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Volume 67| Part a1

ISSN: 2053-2733

August 2011 issue

Abstracts of the XXII IUCr Congress

Madrid, Spain, 22-30 August 2011

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abstracts

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About the VLD phasing approach and the variance of electron-density maps

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From the structure and function of the ribosome to new antibiotics

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Heterogeneity within order in metal–organic frameworks

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What we have learned from structures of the ribosome

V. Ramakrishnan

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The spectacular architecture of the ribosome and clues about its origin

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Structural studies of macromolecular assemblies playing roles in transportation

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Time-resolved nanocrystallography with X-ray lasers

J. C. H. Spence

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Topological characterization of coordination networks and metal–organic frameworks

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Crystallography and HIV-1 vaccine design

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Structural characterization of applied organic materials and soft matter

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Crystalline molecular flasks

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Microtubule-kinetochore interactions

E. Nogales, G. Alushin and V. Ramey

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Use of external fields in the melt growth of semiconductors

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Discovery of post-Perovskite at high pressure and its geophysical implications

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Exploration of the protein universe with high-throughput structural biology

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Energy-related materials: borohydrides

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Crystal engineering of flexible metallorganic networks

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Bacterial pathogenesis and peptidoglycan degradation machines

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Coherence in crystallography for imaging materials and biology

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Structure–property relationships of inclusion compounds

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Validation and errors in protein structures

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Prenucleation clusters and crystallization control by additives

H. Cölfen, D. Gebauer, M. Kellermeier and A. Verch

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Atomic-resolution real-space imaging and aberration-corrected electron microscopy

S. J. Pennycook

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Life at the single-molecule level

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From plane groups to quasilattices: Hispano-Islamic art of the Alhambra, Cordoba and Sevilla

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Charge densities and materials crystallography

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The SHELX approach to experimental phasing of macromolecules

G. M. Sheldrick

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Ab initio structure solution by automated electron diffraction tomography (ADT)

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Conflicts and complicities between crystallography, solid-state NMR and vibrational circular dichroism (VCD)

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E. coli co-translational targeting complexes studied by cryo-EM

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Topological variations in inorganic oxocompounds: origin of structural diversity

S. V. Krivovichev

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XAFS contribution to protein structure–function investigations

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High-pressure studies of molecular crystals

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Powder diffraction at the nanoscale: structure and defects

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Molecular basis of antihistamine specificity against human histamine H1 receptor

S. Iwata, T. Shimamura, M. Shiroishi, S. Weyand, H. Tsujimoto, G. Winter, V. Katritch, R. Abagyan, V. Cherezov, W. Liu, G. W. Han, T. Kobayashi and R. C. Stevens

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Structure of quasicrystalline surfaces

R. McGrath and H. R. Sharma

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Magnetic neutron crystallography – commensurate and incommensurate structures

A. M. Balagurov

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XDX – an initial solution to crystallization

J. Newman, E. H. Snell, J. Luft, F. von Delft, J. Müller-Dieckmann, K. Taylor, D. Ratcliffe and V. J. Fazio

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Crystal engineering. From molecules to crystals

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Frustration and spin lattice coupling in pyrochlores magnets and multiferroics

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Fifty years of defect imaging – focusing on dislocation core structure

A. Howie and M. Whelan

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Structure, oligomerization and mechanism of dynamin superfamily proteins

O. Daumke, S. Gao, K. Fälber, C. Shah, R. Lundmark, H. McMahon, B. Hegde, R. Langen, A. von der Malsburg, G. Kochs and O. Haller

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Telomerase structure function

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Structural basis of the anaphase promoting complex

D. Barford, A. Schreiber, F. Stengel, Z. Zhang, R. Enchev, E. Kong, E. P. Morris, C. V. Robinson and P. da Fonseca

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Complement convertase formation based on the structures of C3b in complex with factors B and D

F. Forneris, D. Ricklin, J. Wu, A. Tzekou, R. S. Wallace, J. D. Lambris and P. Gros

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Crystal structure of the usher:chaperone:adhesin subunit complex – insights into pilus assembly mechanism

G. Phan, H. Remaut, W. Allen, S. Geibel, A. Lebedev, N. Henderson, D. Thanassi and G. Waksman

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Cryo-EM of the ribosome–SecYEG complex in nanodiscs

R. Beckmann, J. Frauenfeld, J. Gumbart and K. Schulten

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Dynamics and stability in virus maturation: mechanisms of a molecular machine

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Lessons learned from the cryoEM and X-ray structures of the human adenovirus

Z. H. Zhou and H. Liu

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Crystal structure of the open conformation of the mammalian chaperonin CCT in complex with tubulin

I. G. Muñoz, H. Yébenes, M. Zhou, P. Mesa, M. Serna, A. Y. Park, E. Bragado-Nilsson, A. Beloso, G. de Cárcer, M. Malumbres, C. V. Robinson, J. M. Valpuesta and G. Montoya

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Pattern recognition for modeling in very low resolution density maps

P. Heuser and V. S. Lamzin

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Structure and self-assembly of amyloid peptide-based hydrogelators

I. W. Hamley and V. Castelletto

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Crystalline versus amorphous molecular gels: two distinct classes of self-assembled structures with unique biological connections

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Dynamic covalent molecular gelators: in control of soft matter properties by dynamic covalent chemistry

J. H. van Esch, C. B. Minkenberg, J. Boekhoven, E. Mendez, G. J. M. Koper and R. Eelkema

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The relationship between crystallisation and gel formation in low molecular weight gelators

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New insights into the polymerization and structural mechanisms of the polydiacetylene DCHD: an X-ray/MEM study

B. Bagautdinov, H. Tanaka, C.-H. Shih, K. Sugimoto, S. Sasaki, K. Tashiro and M. Takata

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Small-angle neutron scattering studies on catalyst ink of fuel cell

M. Shibayama, T. Matsunaga, T. Kusano, K. Amemiya and N. Kobayashi

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Industrial SAS activities at European facilities ESRF and ILL

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SAXS in support of industrial research at DuPont

J. D. Londono, J. Meth, B. A. Wood, P. M. Cotts, G. Beaucage and S. J. Weigand

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SAXS and SANS for industrial materials-by-design

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In situ SAXS studies of Jarosite formation

H. E. A. Brand, N. V. Y. Scarlett, I. E. Grey, R. Knott and N. Kirby

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New tools for the analysis of in situ XRPD data: symmetry-mode analysis, parametric Rietveld refinement and MEM

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A high-energy view of structure in negative thermal expansion materials

A. P. Wilkinson, C. R. Morelock, B. K. Greve, L. C. Gallington, A. C. Jupe, K. W. Chapman and P. J. Chupas

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Behavior of SiO₂ in helium pressure medium

T. Yagi, T. Sato and N. Funamori

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High-pressure polymorphism of ammonia hydrates

A. D. Fortes, G. Griffiths, R. J. Needs, C. J. Pickard and T. Hansen

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Structural evolution of Ca_0.4Sr_0.4Nd_0.2Mn_1−xCr_xO₃; 0 ≤ x ≤ 0.2 perovskites

T. Tan, Q. Zhou, B. J. Kennedy, Q. Gu, J. A. Kimpton and J. R. Hester

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Evolutionary crystal structure prediction: method and results

A. R. Oganov, A. O. Lyakhov and Q. Zhu

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In silico crystallisations of organic molecules: what have we learnt?

A. J. Cruz-Cabeza

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Disorder in organic crystals: modelling and prediction

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Validating multiple DFT-D methods for crystal-structure prediction

J. van de Streek and M. A. Neumann

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IsoQuestCSP: analyzing sets of predicted crystal structures and selecting the true structure

R. de Gelder, J. M. M. Smits, M. Boeije, H. Meekes and E. Vlieg

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Pulsed neutron sources for neutron crystallography: new and future capabilities

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Investigation of nanometer structures with soft X-ray FEL radiation at FLASH

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Linac Coherent Light Source: status and plans for expansion

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X-ray layout and radiation properties of the European XFEL

T. Tschentscher, W. Decking, T. Limberg, J. Pflüger, H. Sinn, E. A. Schneidmiller and M. V. Yurkov

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A multi-purpose neutron diffractometer at the ILL: the state-of-the-art of D19

S. C. Capelli, S. A. Mason, V. T. Forsyth, J. R. Allibon and J. Archer

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The recognition of endocytic signal sequences by the AP2 complex

P. Evans, D. Owen, B. Kelly, A. McCoy and L. Jackson

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Molecular basis for rotational switching in the bacterial flagellar motor

D. Stock and L. K. Lee

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Structure and function of protein-based metabolic organelles in bacteria

T. Yeates, M. Thompson, F. Sheng, J. Kopstein, M. Sawaya, D. Cascio and C. Crowley

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Unlikely crystals: poxvirus spheroids in vivo crystallization

F. Coulibaly, M. Hijnen, S. Cingi, M. Bergoin, V. Olieric and C. Schulze-Briese

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X-ray structure of a functional full-length dynein motor domain

G. Kurisu, T. Kon, R. Shimo-Kon and K. Sutoh

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Generating functions for structure and chemical composition

F. C. Hawthorne

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Modulation of structures and gas storage properties in MOF materials

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New findings in topological crystal chemistry with TOPOS

D. M. Proserpio and V. A. Blatov

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The role of metal cations as template species in zeolite framework formation

E. Gobechiya, L. Van Tendeloo, A. Depla, E. Verheyen, J. Martens and C. Kirschhock

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A new approach to crystal-structure prediction

O. Gagne and F. C. Hawthorne

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Crystals, cures and conundrums

A. J. Florence, N. Shankland and K. Shankland

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Solving structures from powder data using maximum entropy and charge flipping

C. Gilmore and K. Shankland

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Macromolecular powder diffraction: from structure to drug

I. Margiolaki, J. Wright and A. N. Fitch

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Pseudo-polymorphic transition of pharmaceutical crystals revealed by SDPD method

H. Uekusa, M. Aoki and K. Fujii

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Structure determination of barbiturate derivative using X-ray powder diffraction

A. M. Moustafa, I. Farag and E.-S.M. Shalby

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Accurate mass, models and resolution for high-throughput structural analyses

J. A. Tainer, R. P. Rambo, G. L. Hura and M. Hammel

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A system for automated data analysis and interpretation for biological solution SAXS

M. V. Petoukhov, D. Franke, A. G. Kikhney, P. V. Konarev and D. I. Svergun

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Quality control of protein standards for molecular mass determinations by SAXS

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The molecular weight of proteins from a single SAXS measurement on a relative scale

M. de Oliveira Neto, H. Fischer, H. B. Napolitano, I. Polikarpov and A. F. Craievich

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The role of conformational change in HIV maturation revealed by SAXS

N. P. Cowieson, M. Hijnen, J. Wilce, M. Wilce, J. Mak and N. Kirby

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High-pressure examination of salicylaldoximes complexes for metal extraction

P. J. Byrne, J. Chang, S. Parsons and P. Tasker

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Pressure-induced collapse of H-bonded structures

M. Podsiadło and A. Katrusiak

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Study of palladium thioether complexes at high pressure

H. L. S. Wong, A. J. Blake, J. McMaster, M. Schröder and D. R. Allan

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Effect of high pressure/low temperature on cysteine, its salts and derivatives

V. S. Minkov, B. A. Kolesov, S. V. Goryainov, V. A. Drebushchak, T. N. Drebushchak, A. G. Ogienko and E. V. Boldyreva

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NH⋯N hydrogen bonds in high-pressure phase of imidazole

D. Paliwoda, K. F. Dziubek and A. Katrusiak

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Features and development of BEST

A. N. Popov and G. P. Bourenkov

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Remote access and automation at SSRL

A. González, A. Cohen, A. M. Deacon, T. Eriksson, S. McPhillips, M. Soltis, H. Chui, P. Dunten, M. Hollenbeck, I. Mathews, M. Miller, T. McPhillips, P. Moorhead, P. Phizackerley, N. Sauter, C. Smith, J. Song, H. van dem Bedem and Y. Tsai

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Automation and remote access at SPring-8 MX beamlines

K. Hasegawa, G. Ueno, T. Hikima, H. Murakami, K. Hirata, Y. Furukawa, T. Kumasaka and M. Yamamoto

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Automated synchrotron crystallography for drug discovery: the LRL-CAT beamline at the APS

S. R. Wasserman, M. M. Holdmann, J. W. Koss, D. Lewis, L. L. Morisco, S. T. Sojitra, K. D. Visscher and S. K. Burley

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Optimising X-ray experiment strategy on-the-fly based on feedback from automated structure solution

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In search of Nature's secrets – controls on biomineralisation

S. L. S. Stipp, T. Hassenkam, K. Sand, M. Yang, N. Bovet, L. Schultz and K. E. Henriksen

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Biological and environmental influence on Mediterranean corals calcium carbonate precipitation

G. Falini, S. Goffredo, P. Vergni, M. Reggi, E. Caroselli, F. Sparla, O. Levy and Z. Dubinsky

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Intracrystalline molecule-induced changes in the crystal structure of biogenic and biomimetic calcium carbonates

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Control of calcium carbonate precipitation during avian eggshell formation

A. Rodriguez-Navarro, A. Hernandez-Hernandez, J. Gozmez-Morales, J. Gautron, Y. Nys and J. M. García-Ruiz

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Biodiversity of hierarchical architectures and texture in calcite biomaterials

W. W. Schmahl, E. Griesshaber, A. Goetz, K. Kelm, J. Deuschle, G. Jordan and A. Gigler

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Structural and functional analysis of the ISW1a chromatin remodeling complex

K. Yamada, T. D. Frouws, B. Angst, K. Schimmele, D. F. Sargent and T. J. Richmond

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Combinatorial readout of histone H3 modifications specifies localization of ATRX to heterochromatin

S. Eustermann, J.-C. Yang, M. Law, R. Amos, C. Jelinska, L. Chapman, R. Gibbons, D. Rhodes, D. Higgs and D. Neuhaus

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Molecular mimicry in the assembly of chromatin protein complexes

A. Mattevi, M. Tortorici, S. Pilotto, D. Bonivento, G. Ciossani and A. Karytinos

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Structural basis of the versatile DNA recognition by the methyl CpG binding domain of MBD4

M. Ariyoshi, J. Otani, K. Arita, M. Kinoshita and M. Shirakawa

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Structure of a CENP-A-histone H4 heterodimer in complex with chaperone HJURP

N. Yang, H. Hu and R.-M. Xu

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Engineering immunity against HIV-1 using designed antibody constructs

P. J. Bjorkman, M. A. Anaya, S. Bai, R. Diskin, T. J. Feliciano, E. P. Flanagin, R. P. Galimidi, H. Gao, P. N. P. Gnanapragasam, J. R. Keeffe, T. Lee, P. M. Marcovecchio, M. D. Politzer, A. P. West Jr and Y. Wu

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The multiple personalities of transthyretin

E. Sauer-Eriksson, A. Olofsson, F. Almqvist and A. Öhman

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Structural biology and medicinal chemistry in neglected diseases of poverty

G. Oliva, R. S. Ferreira, R. V. C. Guido, H. M. Pereira, R. C. Garratt and A. D. Andricopulo

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X-ray microdiffraction reveals structural features of amyloid deposits in situ

J. Doucet, F. Briki, J. Vérine, P. Bénas, B. Fayard, M. Delpech, G. Grateau and M. Riès-Kautt

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Insights into the food-poisoning toxin Clostridium perfringens enterotoxin

C. Naylor, C. Savva, T. Yelland, D. Briggs, M. Popoff and A. Basak

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Designer enzymes

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Molecular probes as starting point for structure-based lead development

A. Heine, J. Behnen, H. Köster, T. Craan, S. Brass and G. Klebe

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Supramolecular synthons in crystal engineering

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Cocrystallization of amino acids

S. A. Raza and I. D. H. Oswald

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The XPac dissimilarity index as a quantitative descriptor of isostructurality

T. Gelbrich, T. L. Threlfall and M. B. Hursthouse

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Structure of nanosized crystals by total X-ray diffraction

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Contrasting P- and T-induced amorphization using ZrW₂O₈ and ZIF-4 as case studies

D. A. Keen, T. D. Bennett, A. K. Cheetham, M. T. Dove, A. L. Goodwin and M. G. Tucker

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Diffraction and nanoscale molecular electronics

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Debye–Waller factor and thermal expansion in gold nanoparticles

A. Gomez, D. Zanchet, B. Pritchard and S. Kyciaa

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Debye function analysis on disordered metal–organic compounds: the pathfinder [Ru(CO)₄]_n

A. Cervellino, N. Masciocchi, A. Maspero and A. Guagliardi

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High-pressure synthesis, structure and properties of novel superhard phases

V. L. Solozhenko

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Amorphization, insertion and reactions in microporous materials at high pressure

J. Haines, O. Cambon, F. Alabarse, B. Coasne, C. Levelut, M. Santoro, F. Gorelli, D. Keen and S. Kohara

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High-pressure synthesis of transition metal hydrides

T. Scheler, O. Degtyareva, C. Guillaume, J. Proctor, S. Evans and E. Gregoryanz

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Xe-H₂O compound synthesized at extreme conditions

C. Sanloup, S. Bonev, M. Hochlaf, H. Maynard-Casely and M. Mezouar

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Structural, magnetic and electrical properties of iron hydride

N. Hirao, Y. Ohishi, T. Matsuoka, T. Mitsui, K. Takemura, K. Shimizu, A. Machida and K. Aoki

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Disordered and incommensurate crystal structures by transmission electron microscopy – some examples

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Symmetry considerations in commensurate and incommensurate multiferroic materials

J. M. Perez-Mato, J. L. Ribeiro, V. Petricek and M. I. Aroyo

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Affine extensions of noncrystallographic groups and quasilattices

R. Twarock, T. Keef and J. Wardman

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The Lie group of translations: a unified way for describing structures, modulated or not

P. Kocian, K. Schenk and G. Chapuis

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On subgroups of hyperbolic crystallographic groups

L. P. M. L. N. De, R. P. Felix and G. R. Laigo

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Interfaces of lanthanum and strontium manganite superlattices

A. B. Shah, B. B. Nelson-Cheeseman, S. J. May, J.-M. Zuo, A. Bhattacharya and J. C. H. Spence

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Interfacial magnetism by resonant X-ray reflectivity

S. Grenier, J.-M. Tonnerre, E. Jal, M. Elzo and N. Jaouen

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High-energy X-ray surface and interface scattering

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High-resolution STEM study of InGaAs/InAlAs and Si/Ge heterostructures

A. Vasiliev, V. V. Roddatis and M. V. Koval'chuk

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Spatial resolution of electronic structure through modeling reflectivity spectra

K. H. Stone and J. B. Kortright

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Evolution and dynamics of protein complexes

S. A. Teichmann, E. D. Levy, J. A. Marsh and S. De

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Structural insight into the regulation of AMP-activated protein kinase

J.-W. Wu, L. Chen and Z.-X. Wang

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A pseudokinase mediates cell wall integrity in Mycobacterium tuberculosis

C. L. Gee, K. G. Papavinasasundaram, S. R. Blair, C. E. Baer, A. M. Falick, D. S. King, J. Griffin, H. Venghatakrishnan, J.-R. Wei, E. J. Rubin, C. M. Sassetti and T. Alber

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Structural basis for vitamin B₁₂ uptake

C. B. F. Andersen, M. Madsen, T. Storm, S. K. Moestrup and G. R. Andersen

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Structural basis of cargo recognition by the myosin-X MyTH4-FERM domain

Y. Hirano, T. Hatano, A. Takahashi, M. Toriyama, N. Inagaki and T. Hakoshima

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Recent efforts on phase determination by S-SAD

B.-C. Wang and J. P. Rose

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Macromolecular OD structures

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Extending the limits in solving and rebuilding molecular replacement structures

R. J. Read, A. J. McCoy, T. C. Terwilliger, F. DiMaio and D. Baker

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Phasing of an unpredicted palindromic coiled-coil motif

B. Franke, D. Rodriguez, I. Uson and O. Mayans

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S-SAD phasing of protein O-fucosyltransferase-1 at a resolution of 2.6 Å in the monoclinic space group C2

S. Panjikar, M. Weiss and R. H. Guerrero

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Molecular tectonics: design of enantiomerically pure tubular crystals

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Fluorocarbon control of crystal structures: NLO materials and supramolecular LCs

G. Resnati, D. W. Bruce, P. Metrangolo, T. Pilati and G. Terraneo

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Unprecedented chemical and thermal stability of MOFs with exposed metal sites

S. Galli, V. Colombo, A. Maspero, G. Palmisano, N. Masciocchi and J. R. Long

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From molecules, via supramolecular assembly, to tunable physical properties

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Probing mechanical anisotropy in molecular crystals using nanoindentation methods

S. Varughese, M. S. R. N. Kiran, U. Ramamurty and G. R. Desiraju

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Removal of hydrocarbons from water by using organophilic zeolites

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Synthesis and structures of new layered and framework anion-exchangeable hydroxides

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LHT-9: layered nano-material with reductive adsorption and exchange properties

W. Depmeier, S. N. Britvin, A. Lotnik, L. Kienle, S. V. Krivovichev, Y. I. Korneyko and B. E. Burakov

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Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non-porous onium salts

J. Martí-Rujas, L. Meazza, G. Terraneo, C. Castiglioni, R. Milani, T. Pilati, P. Metrangolo and G. Resnati

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Experimental visualization of breathing in fluorous metal–organic frameworks from single-crystal diffraction – functionalized MOFs for gas storage and separation

X. Wang, C. Yang and M. A. Omary

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Understanding hydrogenation properties of various hydrogen storage materials from their local structure

H. Kim, K. Sakaki, Y. Nakamura, E. Akiba and T. Proffen

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Analysis of isotropic nanostructured systems using SAS

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Competition between PCBM aggregation and P3HT crystallization in thin films upon annealing

U-S. Jeng, W.-R. Wu, C.-J. Su, K.-H. Wei, M.-S. Su, M.-Y. Chiu, C.-Y. Chen, W.-B. Wu and A.-C. Su

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Ultra-small-angle X-ray scattering–X-ray photon correlation spectroscopy: a new measurement technique for in situ studies of equilibrium and nonequilibrium dynamics

F. Zhang, A. J. Allen, L. E. Levine, J. Ilavsky and G. G. Long

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RDF studies on microstructural changes in coir fibre by the action of enzymes

P. Dasgupta, A. K. Guha, M. M. Khan, B. Mondal and M. Roy

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COD: an open-access tool for searching and retrieving crystallographic data

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The wwPDB and future perspectives in sharing macromolecular data

H. M. Berman, G. J. Kleywegt, J. L. Markley and H. Nakamura

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Possible futures for small-molecule crystal structure archives?

C. R. Groom, I. Bruno, J. Cole and J. Leibeschuetz

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Graphical query interfaces for inorganic crystallographic databases

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Comparison of surface fractal features of thermophilic and mesophilic proteins

S. Ramakumar, P. Mahanta, S. Gupta and B. K. Manoj

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Controlling stress in GaN-on-Si

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Diffuse X-ray scattering from defects in GaN epitaxial layers

V. Holý and M. Barchuk

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Lithium niobate: a smart material for various applications in optoelectronics

M. D. Fontana, S. Mignoni, R. Hammoum and P. Bourson

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Study of the thermal anisotropy of KLu(WO₄)₂ for high-power laser applications

M. Aguiló, M. C. Pujol, X. Mateos, J. J. Carvajal and F. Díaz

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The optical spectra of Sr₂SiO₄:Eu²⁺ nanocrystals

Y. J. Kim and J. S. Lee

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Perspectives on the crystal structure of human adenovirus

V. S. Reddy, S. K. Natchiar, T.-M. Mullen and G. R. Nemerow

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Structures of porcine adenovirus type 4 and bacteriophage T4 long tail fibres

M. J. van Raaij, P. Guardado-Calvo, S. G. Bartual, J. M. Otero, C. Garcia-Doval, A. L. Llamas-Saiz and G. C. Fox

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The cell fusion proteins of the 'FF' family are homologous to class II viral fusion proteins

F. A. Rey, J. Perez-Vargas, T. Krey and B. Podbilewicz

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Structural basis for the inhibition of apoptosis by Epstein–Barr virus BHRF1

M. Kvansakul, A. H. Wei, J. I. Fletcher, S. N. Willis, L. Chen, A. W. Roberts, D. C. S. Huang and P. M. Colman

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Crystal structure of the N-terminal domain of HIV-1 capsid in complex with an assembly-inhibiting nanobody

L. Castillo, J. Helma, P. Guardado, U. Rothbauer, F. Rey, H. Leonhardt and H.-G. Kräusslich

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Modeling diffuse scattering using evolutionary algorithms and super computing

T. Michels-Clark, M. Chodkiewicz, C. Hoffmann, J. Hauser, A. Linden, V. Lynch, T. Weber and H.-B. Bürgi

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Diffuse scattering from stacking faults: scaling of pair correlation function

D. Pandey and P. Tiwary

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Diffuse scattering from molecular crystals

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A new model of correlated disorder in relaxor ferroelectrics

D. Chernyshov, A. Bosak, S. Vakhrushev and M. Krisch

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Diffuse scattering in one-dimensional 'liquid-like' aperiodic composites

L. Guérin, C. Mariette, B. Toudic, P. Rabiller, C. Ecolivet and M. Hollingsworth

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The impact of crystallography on design of adsorption and catalytic sites in zeolites

J. A. Martens, S. Heyle and C. E. A. Kirschhock

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Indenyl nickel catalysts: the effect of structure on oligomerisation reactions

C. S. B. Gomes, L. C. Silva, S. I. Costa, M. T. Duarte and P. T. Gomes

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Trapping and visualization of catalytic intermediates

B. Stec, M. F. Roberts and E. R. Kantrowitz

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Catalytic decomposition of ammonia monitored by in situ X-ray diffraction studies

C. Weidenthaler, V. Tagliazucca, U. Holle, M. Feyen and F. Schüth

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Mechanism of PSII oxygen evolution predicted from its 1.9 Å resolution structure

N. Kamiya, K. Kawakami, Y. Umena and J.-R. Shen

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Rietveld refinement using G-Faktor applied on early OPC hydration

J. Neubauer and F. Goetz-Neunhoeffer

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Materials development; novel applications of time-resolved diffraction

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Nonlinearity in residual stress measurements using X-ray powder diffraction

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The development of rapid tomographic energy-dispersive diffraction imaging TEDDI

R. J. Cernik, S. M. Jacques and C. Egan

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Crystalline texture in Zr-based alloys tubes

C. P. Buioli, A. D. Banchik and P. Vizcaíno

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Low-voltage electron diffractive imaging

O. Kamimura, T. Dobashi, Y. Maehara and K. Gohara

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Strain at the nanoscale revealed by three-dimensional lens-less X-ray microscopy

M. Allain and V. Chamard

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X-ray ptychography

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Coherent X-ray diffraction of copper islands under in situ loading

G. Beutier, M. Verdier, M. de Boissieu, B. Gilles, G. Parry, F. Livet, M.-I. Richard, S. Labat, O. Thomas and T. Cornelius

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Quantitative phase imaging with polychromatic sources

M. B. Luu, C. Q. Tran and A. G. Peele

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An account on multicenter bonding and its relationship with aromaticity

E. Matito, F. Feixas and M. Solà

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The Hirshfeld-I method: atoms in molecules and chemical bonding perspective

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Relativistic effects on the topology of the electron density

G. Eickerling, K. Batke and W. Scherer

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Electron-deficient and polycenter bonds in γ-B₂₈

S. Mondal, S. van Smaalen, A. Schönleber, Y. Filinchuk, D. Chernyshov, S. I. Simak, A. S. Mikhaylushkin, I. A. Abrikosov, E. Yu. Zarechnaya, L. Dubrovinsky and N. Dubrovinskaia

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Core and valence electron-density distribution in a Ga^I NHC-analogue

J. Overgaard, C. Jones and J. Platts

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Kinetic anomalies of crystal growth: object, novelty and implication

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Growth of Al-based quasicrystals and other complex metallic phases

P. Gille, B. Bauer and M. Hahne

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Influence of SO₄²⁻ and SeO₄²⁻ on the crystallization of CaCO₃: structural and morphological aspects

A. Fernández-González, L. Fernández-Díaz and M. Prieto

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Biomimetic calcite crystal nucleation and growth from ACC and PILP amorphous precursors

E. Griesshaber, H. Gong, K. Kelm, D. Volkmer and W. W. Schmahl

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Crystallization in gels and microgravity: a comparative study

L. A. González-Ramírez, A. E. S. Van Driessche, E. Melero-García, J. A. Gavira and J. M. García-Ruiz

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Structure basis of ligand–receptor interaction in the IL-1 family of cytokines

X. Wang and D. Wang

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Bacterial cell wall degradation by a staphylococcal autolysin

T. Stehle and S. Zoll

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Gram-positive bacterial pili: structures, assembly and function

H. J. Kang and E. N. Baker

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Structural investigations of a novel bacterial AB₅ toxin

N. J. Le, L. Tan, S. Troy, E. Byres, D. Smith, A. W. Paton, J. C. Paton, J. Rossjohn and T. Beddoe

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Toxicity and neutralization mechanism of the mqsRA toxin:antitoxin module

B. L. Brown, S. Grigoriu and R. Page

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Potential impact of an X-FEL on time-resolved studies of protein dynamics

R. Neutze, L. Johansson, A. Wöhri, G. Katona, E. Malmerberg, D. Arnlund, J. Davidsson, M. Wulff, G. Groenhof, H. Chapman, J. Spence and P. Fromme

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Three-dimensional imaging with coherent X-rays at nano-scale resolution and beyond

C. Song, J. Park, S. Kim, D. Nam, Y. Kohmura and T. Ishikawa

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Structure and dynamics from random snapshots of heterogeneous ensembles

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Structure determination of biomolecules by XFEL radiation: exploitation of angular correlations of scattered intensities

D. K. Saldin, H.-C. Poon and M. Schmidt

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Imaging biological molecules using X-FELs

T. R. M. Barends, R. B. Doake, P. M. L. Fromme, J. H. Spence, L. Strüder, J. Ullrich, H. N. Chapman and I. Schlichting

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Flexible pyrene-derived frameworks for sensing and separation

D. Bradshaw, K. C. Stylianou, R. Heck, J. Bacsa, S. Chong, J. Rabone, Y. Z. Khimyak and M. J. Rosseinsky

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Unusual porous functions of stimuli-responsive porous coordination polymers

R. Matsuda, H. Sato, J. Seo and S. Kitagawa

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Negative thermal expansion in porous framework materials

L. J. Cameron, D. J. Price and C. J. Kepert

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Tuning of the structural flexibility and chemical properties of the MIL53-Al and MIL47-V

K. Yusenko, O. Kozachuk and R. A. Fischer

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The role of synthesis conditions on SBU condensation of Mg polymeric frameworks

A. E. Platero-Prats, V. A. de la Peña-O'Shea, D. M. Proserpio, N. Snejko, A. Monge and E. Gutiérrez-Puebla

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The structure and dynamics of hydrogen storage materials based on boron and nitrogen

M. Bowden, B. David, K. Ryan, M. Jones, G. Schenter and T. Autrey

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Synchrotron X-rays and neutrons as essential tools in Li battery research: new structures and new properties of LiFePO₄-based cathodes

C. Masquelier, S. Hamelet, C. M. Casas and J. M. Tarascon

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A new homologous series of oxygen vacancy ordered strontium manganese perovskite

L. Suescun and B. Dabrowski

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Polyene-diphenylaniline D5 dyes and their role in the efficiency of DSSC solar cells

D. Viterbo, E. Artuso, C. Barolo, G. Croce, L. Palin, W. van Beek, V. Gianotti and M. Milanesio

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The cation distribution in off-stoichiometric CuInSe₂ and CuGaSe₂

C. Stephan, S. Schorr and T. Scherb

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Pressure-induced phase transitions in Na–Au intermetallic compounds

K. Takemura and H. Fujihisa

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Making use of topological similarities in HP structures

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The origin of memory glass effect in pressure-amorphized rare earth molybdates

E. Kudrenko, S. Khasanov, V. Sinitsyn, V. Roddatis, S. Shmurak, B. Redkin and E. Ponyatovsky

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Multiferroic CuWO₄ under pressure: comparison of PXRD and SXRD studies

J. Ruiz-Fuertes, A. Friedrich, D. Errandonea, A. Segura, W. Morgenroth and R. Lacomba-Perales

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Phase transitions in carbon dioxide at high pressures and temperatures

B. Boates, A. Teweldeberhan and S. Bonev

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Is a more predictable QTAIM possible?

P. A. Martín, M. G. Revilla and E. Francisco

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Halogen bonding from charge-density analysis

E. Espinosa, T. T. T. Bui, S. Dahaoui, E. Aubert, C. Lecomte and G. R. Desiraju

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Joint densities and density matrices refinements: first attempts and first results

P. Becker, J.-M. Gillea, M. Deutsh, N. Claiser, M. Souhassou, B. Gillon, Y. Ciumacov, S. Pillet, C. Lecomte, P. Cortona, D. Luneau and A. Bortha

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Quantitative information on polarization of ED from multipolar model – possible?

J. M. Bąk and P. M. Dominiak

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Chemical bonds in aluminium

P. N. H. Nakashima, A. E. Smith, J. Etheridge and B. C. Muddle

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Polarized XAS of photosystem II and relevant Mn model complexes

V. K. Yachandra, J. Yano, J. Kern, R. Tran, B. Lassalle, C. Glöckner, M. Broser, J. Helmich and A. Zouni

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The synergism of XAS and crystallography

W. Meyer-Klaucke

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Single-crystal XAS studies on transient metalloprotein intermediates

B. Hedman and R. Sarangi

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Structural studies of amyloid-β oligomerization and metal binding in Alzheimer's disease

V. A. Streltsov

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Metal–protein interplay in protein function and stability

A. Díaz-Quintana, A. Wagner, I. Díaz-Moreno, E. Frutos-Beltrán, . R. M. A. De, J. Chaboy and S. Díaz-Moreno

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Structure validation challenges in chemical crystallography

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Validation of small- and macromolecular X-ray structures: PDB and CCDC collaborations

S. Gore, T. S. G. Olsson and M. Zhuravleva

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The most powerful crystallographic validation tool: common sense

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Unrestrained reciprocal space refinement can indicate alternative conformations

O. V. Sobolev and V. Y. Lunin

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Validation of B-factor distributions in protein crystal structures

J. Negroni, G. N. Murshudov and T. R. Schneider

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Counting atoms with quantitative scanning transmission electron microscopy

J. M. LeBeau, S. D. Findlay, A. J. D'Alfonso, L. J. Allen and S. Stemmer

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Measuring lattice distortions from HR(S)TEM images

M. Hÿtch, A. Lubk, C. Gatel and E. Snoeck

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Structures of catalytically important nano-structured materials revealed by TEM

H. Y. Jeong, K. Jung, Y. Yamauchi, J.-M. Yang, J. Y. Park and O. Terasaki

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Imaging a sub-ångstrøm electron beam after scattering in a crystal

J. Etheridge, S. Lazar, C. Dwyer and G. A. Botton

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QFocus: structure reconstruction from focal series of HRTEM images

X. Zou, W. Wan and S. Hovmöller

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Making the molecular movie: first frames and coming features

R. J. D. Miller and G. Sciaini

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Measuring femtosecond structural dynamics at a hard X-ray laser: challenges and successes

D. M. Fritz, H. Lemke, D. Zhu and M. Cammarata

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Structural dynamics of proteins conformers and conformer selection in chemical reactions

S. Techert, M. Petri, M. Scholz, W. Quevedo, M. Wulff, A. Menzel, P. Wernet and A. Foehlisch

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Single-pulse Laue TR diffraction: methods, results and use of QM/MM theory

P. Coppens, J. B. Benedict, A. Makal, E. Trzop, J. Kalinowski and J. Sokolow

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Dynamic investigation of photoinduced phase transition in Prussian blue analogs by picosecond time-resolved XAFS

S. Nozawa, T. Sato, A. Tomita, M. Hoshino, H. Tokoro, S. Ohkoshi, S. Adachi and S. Koshihara

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X-ray diffraction methods as a complementary tool for analyses of historical objects

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Synthetic or manufactured ancient pigments studied by means of synchrotron radiation-based methods

P. Martinetto, C. Dejoie, M. Anne, E. Dooryhée, L. Samain, P. Bordet, J.-L. Hodeau and P. Walter

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Quantitative characterization of Japanese ancient swords through time-of-flight neutron diffraction and energy-resolved neutron imaging

F. Grazzi, E. Barzagli, A. Scherillo, S. Hartmann, F. Civita, R. Franci, E. Lehmann and M. Zoppi

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Estimation of iron valencies of Prussian blue pigment by anomalous X-ray diffraction

C. Gervais, M.-A. Languille, S. Reguer, S. Pelletier, E. Elkaim, E. Vicenzi and L. Bertrand

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XRPD studies of the objects of cultural heritage made of copper or its alloys

A. Rafalska-Łasocha, M. Grzesiak and W. Łasocha

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Structure and elasticity of single crystals by phonon imaging at high pressure

F. Decremps, L. Belliard and B. Perrin

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High-pressure neutron diffraction at the SNS

M. Guthrie, R. Boehler, M. Somayazulu, T. Strobel, G. Karotsis, C. Tulk, S. A. M. dos, J. Molaison and N. Pradhan

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Towards the use of Laue microdiffraction intensities for structural studies at extreme conditions

C. Dejoie, M. Kunz, N. Tamura, K. Chen, S. Teat, C. Beavers, L. McCusker and C. Baerlocher

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High-pressure freezing of protein crystals

A. Burkhardt, M. Warmer, A. Wagner, R. Reimer, H. Hohenberg and A. Meents

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Synchrotron X-ray diffraction tomography technique using diamond anvil cell

H. Liu, L. Wang, Z. Yu, L. Kong, J. Zhao, D. Dong, C. Li and Z. Liu

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Probing the electronic structure of correlated electron systems with synchrotron light

S. B. Dugdale, J. Laverock, C. Utfeld, T. D. Haynes, J. A. Duffy, M. W. Butchers, J. W. Taylor and S. Giblin

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Resonant X-ray magnetic scattering for transition metal ferrites

M. Okube and S. Sasaki

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High-resolution Compton scattering as a new tool for imaging dopants and probing metal–insulator transitions

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Metal–insulator transitions: a real space picture

A. I. Baranov and M. Kohout

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Spin-wise decomposed Compton profiles

Y. Sakurai, M. Itou, T. Mizoroki, Y. Taguchi and T. Iwazumi

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Molecular-scale three-dimensional visualization of solid–liquid interfaces by FM-AFM

H. Yamada, K. Suzuki, N. Oyabu and K. Kobayashi

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Step flow and interface structure during the growth of semiconductor nanowires

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Transient phases and prenucleation clusters in biomimetic calcium phosphate mineralization

N. A. J. M. Sommerdijk

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Nanoscopic characteristics of anhydrite (100) surface growth under mild hydrothermal conditions

J. Morales, J. M. Astilleros and L. Fernández-Díaz

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Double-wavelength interferometry for direct observation of homogeneous nucleation in vapor phase

Y. Kimura, Y. Inatomi, H. Miura, T. Maki and K. Tsukamoto

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Microbial glycolipid antigen recognition by invariant natural killer T cells

D. M. Zajonc, Y. Li, E. Girardi, E. D. Yu, J. Wang, G. F. Painter, P. Illarionov, Y. Kinjo and M. Kronenberg

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Understanding cytokine receptor signalling

M. W. Parker, S. E. Broughton, G. Hansen, J. King-Scott, T. R. Hercus and A. F. Lopez

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Mechanistic insights into the complement system

P. Gros, F. Forneris, M. Hadders and J. Wu

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Structural basis of disease resistance in flax against flax rust

T. Ve, S. Williams, E. Valkov, A. Stamp, M. Bernoux, D. Hatters, J. G. Ellis, P. N. Dodds and B. Kobe

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Structure of complement C6 suggests a universal model for pore formation by cytolysins

A. E. Aleshin, I. U. Schraufstatter, L. A. Bankston, R. G. DiScipio and R. C. Liddington

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Mechanism of transcription regulation by conditional cooperativity

R. Loris, A. Garcia-Pino and N. de Jonge

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Cryo-EM of helical polymers: new insights into evolutionary divergence

E. H. Egelman, V. E. Galkin and A. Orlova

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What makes homologous small GTPases specific? A combined X-ray, SAXS and NMR study

J. Cherfils, V. Biou, K. Aizel, M. Zeghouf, V. Buosi, A. Thureau, E. Jacquet, E. Guittet, C. V. Heijenoort, P. Roblin and J. Perez

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Structural and energetic mechanisms of cooperative autoinhibition and activation of vav1

D. R. Tomchick, B. Yu, I. R. S. Martins, P. Li, G. K. Amarasinghe, J. Umetani, M. E. Fernandez-Zapico, D. D. Billadeau, M. Machius and M. K. Rosen

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The effect of ligand-stabilized oligomerization on Rio1 kinase activity

N. LaRonde-LeBlanc and I. Kiburu

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Molecular confinement inside carbon nanostructures: a playground for molecular dynamics investigations

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Atomic structure of graphitic materials visualized by using TEM and STEM

Z. Liu, K. Suenaga, C. Jin and S. Iijima

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The physics of nano-carbons explored by high-resolution transmission electron microscopy

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Carbon polyamorphs in pressure-crushed C60 analyzed by scattering tomography

J.-L. Hodeau, M. Alvarez-Murga, P. Bleuet, M. Mezouar, G. Garbarino, A. Salamat, C. Lepoittevin and N. Nunez-Regueiro

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In situ characterization of the carbon nanotube growth process by X-ray diffraction

C. Baehtz, C. R. Wirth, B. C. Bayer, S. Hofmann and J. von Borany

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High-throughput crystallization as a part of streamlined drug development

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PROTEUS – a fully automated crystallization screening equipment at AstraZeneca

I. Ymén, M. Ahlqvist, M. Arinder, S. Cosgrove, A. Erikson, M. Gustafson, A. Lindgren, A. Robertson and N. P. Taylor

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Does computational work help in solid form screening?

D. E. Braun, D. A. Tocher and S. L. Price

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The polymorph time bomb: a new knowledge-based tool for risk mitigation

P. A. Wood, P. T. A. Galek, E. Pidcock and J. A. Chisholm

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Crystal screening by second-order nonlinear optical imaging of chiral crystals (SONICC)

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Prospects and challenges in the synthesis of zeotype materials

S. Mintova, E.-P. Ng, G. Majano and L. Lakiss

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Crystallography, physical properties and applications of sulfosalts

H. Dittrich, D. Topa, A. Stadler, J. Stöllinger, A. Pachler and G. Aigner

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Genetic aspects of borophosphate crystal chemistry

O. Yakubovich, W. Massa, I. Steele and O. Dimitrova

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Debye function analysis and two-dimensional imaging of nanoscale bioapatite in bone tissue

A. Guagliardi, A. Cedola, C. Giannini, A. Cervellino and M. Mastrogiacomo

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Radiation-induced disordering in crystalline actinide hosts

S. Yudintsev, J. Zhang, T. Livshits and R. Ewing

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Structure and vibrations in disordered systems

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Structure and dynamics of hydrogen-bonded systems from inelastic scattering

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Using phonon measurements to study electrons in superconductors

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Time-resolved X-ray diffraction study of LiNbO₃ under pulsed external electric field

R. Grifone, O. Schmidt, S. Gorfman and U. Pietsch

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Phonons observed by Laue diffraction on a continuous neutron source

G. J. McIntyre, H. Kohlmann and B. T. M. Willis

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Structural identification and antiproliferative activity of metallodrugs

S. Top, I. Ascone, D. Hamels, E. A. Hillard, A. Vessières and G. Jaouen

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XANES spectroscopy for determination of the three-dimensional nanoscale atomic structure

A. V. Soldatov, G. Yu. Smolentsev, V. L. Mazalova and A. N. Krasvtsova

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Graphene, electrons, plasmons, and quantum: a perfect match

F. J. G. de Abajo

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Amphipathic and amphidynamic crystalline materials: an XRD and MAS NMR study

A. Comotti, S. Bracco, M. Beretta and P. Sozzani

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Metal–semiconductor surface phase transitions: a photoelectron diffraction study

J. Avila and M. C. Asensio

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An attempt to prepare membrane proteins using the wheat cell-free protein production system

Y. Endo, T. Sawasaki and M. W. Lassale

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Structural biology of G protein-coupled receptors

V. Cherezov, B. Wu, E. Chien, W. Liu, F. Xu and R. C. Stevens

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Application of split fluorescent proteins to challenges in crystallography: present and future

P. Listwan, H. Nguyen, T. C. Terwilliger and G. S. Waldo

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Immutable glycine-based perfect alignment of protein families

W. L. Duax, R. Huether, D. Dziak and C. McEachon

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Differential scanning fluorimetry at the ESFRI-Instruct Core Centre Frankfurt

Y. Thielmann, M. Kohlstädt, I. von der Hocht, J. Köpke and H. Michel

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Ensemble refinement of protein crystal structures in PHENIX

T. Burnley, P. Afonine, P. Adams and P. Gros

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Low-resolution refinement in the program REFMAC

G. N. Murshudov

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Better ligand representation in BUSTER protein–complex structure determination

O. S. Smart, T. O. Womack, C. Flensburg, P. Keller, W. Paciorek, A. Sharff, C. Vonrhein and G. Bricogne

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Structure solution by molecular replacement using ab initio protein models

D. Rigden, J. Bibby, O. Mayans, R. Keegan and M. Winn

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Release 7.2 of ARP/wARP software suite

S. Hazledine, G. Langer, T. Wiegels, C. Carolan, P. Heuser, K. Joosten, A. Perrakis and V. Lamzin

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Halogen versus hydrogen bonding in the design of anion receptors

P. Metrangolo, S. Biella, G. Cavallo, T. Pilati, G. Resnati and G. Terraneo

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Ionic, hydrogen or halogen bonds? Relevance for predicting crystal structures

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Halogen bonding involving metallate ions and anionic ligands

L. Brammer, G. M. Espallargas, J. Ormond-Prout, I. V. Yrezabal, S. Libri and F. Zordan

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Electronic factors affecting the I–I bonds in the simplest polyiodides

G. Manca, C. Mealli and A. Ienco

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Computational and CSD analysis of I₃⁻⋯I₃⁻ halogen bonds

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Perovskite oxynitride materials: anion order, valence states and physical properties

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Molecular mechanisms of photoinduced and thermally induced effects in crystals

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Insights into reactions of functional materials using pair distribution function analysis

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Structural analysis of mechanochemical reaction products from powder diffraction

S. Pagola, S. H. Lapidus, Z. Huba, E. Carpenter and T. Al-Fattah

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In situ XRD study of the reduction of copper spinel with H₂ and CO

L. Barrio, M. Estrella, J. Hanson and J. A. Rodriguez

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Supramolecular assembly based on multinuclear silver(I) ethynide synthons

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Polycoordinate hydride inside a Cu₇ cluster authenticated by neutron diffraction

A. J. Edwards, C.-W. Liu, P.-K. Liao and C.-S. Fang

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Germylenes: high-resolution X-ray data for unambiguous ligand identification

D. Kratzert, H. Ott and D. Stalke

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Theoretical QTAIM study on S- and Se-bridged polynuclear Mn complexes

J. F. Van der Maelen Uría, S. García-Granda and J. Ruiz

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Two different types of supramolecular architectures of p-sulfonated thiacalix[4]arene with Zn(dipy)₃: structure and stability

B. Gabidullin, A. Gubaidullin and A. Mustafina

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Crystallography on-a-chip: using GPU for fast scattering computing

V. Favre-Nicolin

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Software libraries in CCP4 program suite

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Libraries and software development at Rigaku

L. M. Daniels, M. R. Pressprich, T. L. Hendrixson and R. Athay

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DiffPy – an open-source library for powder crystallography

P. Juhas, C. L. Farrow, J. Liu, W. Zhou, P. Tian, Y. Shang and S. J. L. Billinge

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MyTARDIS: managing the lifecycle of crystallography data

S. Androulakis, M. D'Silva, U. Felzmann, G. R. Meyer, R. Sim, G. Galang, S. O'Keefe, I. Thomas, N. Holdgate, C. Chow, A. Grant, A. Beitz, P. Bonnington, H. W. Schmidt and A. Buckle

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Structural and magnetic transitions of Cd₆R approximants

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A dense quasicrystalline phase of hard tetrahedra

M. Engel, A. Haji-Akbari and S. C. Glotzer

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Prediction of low-temperature phase transition in Al₁₁Ir₄ compound

M. Mihalkovič and C. L. Henley

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The structure of Al–Cu–Me (Me = Co, Rh, Ir) quasicrystals

P. Kuczera, J. Wolny and W. Steurer

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Variable range hopping conductivity in quasicrystals

Yu. Kh. Vekilov and M. A. Chernikov

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Structural basis for the sequential assembly of photosynthetic multienzyme complex

H. Matsumura, A. Kai, T. Maeda, M. Tamoi, M. Hirose, N. Kizu, A. Wadano, T. Inoue and S. Shigeoka

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Structural basis for specific aminoacyl-tRNA synthesis

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First view of insulin bound to its primary binding site on the insulin receptor

M. Lawrence, J. Menting, G. Kong, M. Margetts and C. Ward

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The structure of conformational junctions in DNA and genomic instability

A. Athanasiadis, M. de Rosa, D. de Sanctis, A. L. Rosario, M. Archer, A. Rich and M. A. Carrondo

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Crystal structures of key components in toll-like receptor signaling

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Atomic structure, electronic structure and optical response of metal nanoparticles

V. J. Keast and R. W. Burgess

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Chemical mapping at atomic-column resolution by STEM-EDX

C. H. Chen and M. W. Chu

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Three-dimensional atomic imaging of crystalline nanoparticles

S. Van Aert, S. Bals, J. Batenburg and G. Van Tendeloo

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Bonding and electronic structure of nanomaterials and interfaces with electron energy loss spectroscopy

G. A. Botton, M. C. Y. Chan, S. H. Vajargah, F. Nan, D. Rossouw, S. Woo and G. Zhu

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Photo-conductivity and electronic structures of Au-nanoparticle embedded silica nanowires

W. F. Pong, C.-W. Pao, C.-T. Wu, L.-C. Chen, C.-H. Chen, K.-H. Chen, M.-H. Tsai and J.-H. Guo

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Molecular design of multifunctional magnetic materials

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Development of molecular materials with electric and/or magnetic functions

H. Kobayashi, B. Zhou and A. Kobayashi

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Jahn–Teller effect and ferroelectric phase transition in a metal–organic complex

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Finite size effects in a quantum chain of antiferromagnetically coupled spins 3/2

B. Gillon, T. Guidi, S. Carretta, G. Timco, S. Mason, A. Stunault, A. Bianchi, P. Santini, A. Cousson and R. Winpenny

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Interplay between structure and functional properties in spin crossover frameworks

N. F. Sciortino, G. J. Halder, B. Moubaraki, K. S. Murray, J. Létard and C. J. Kepert

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News from the world of Eni carbon silicate (ECS) materials

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Revision of the crystal chemistry of the astrophyllite group

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Ammonium polyoxoarsenates(III) – from columns to three-dimensional structure

P. A. Guńka, M. Dranka and J. Zachara

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Complex topologies as a result of simple relationships between two-dimensional and three-dimensional actinide borates

E. V. Alekseev, S. Wang, T. E. Albrecht-Schmitt and W. Depmeier

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Temperature and moisture dependent studies on kanemite (NaSi₂O₄(OH)·3H₂O)

V. Kahlenberg, D. Schmidmair, D. M. Többens, J. deWit and U. J. Griesser

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Data reduction of area-detector measurements

C. Hoffmann, D. Mikkelson, R. Mikkelson, J. Zikovsky, V. Lynch, A. Schultz, X. Wang and P. Perterson

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Applications of area detectors to texture measurements

D. Chateigner and L. Lutterotti

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Modern trends in area detectors for single-crystal neutron diffraction

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Accurate data analysis for the Koala and VIVALDI neutron Laue diffractometers

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Diffraction data quality analysis of EVAL15 integration

L. M. J. Kroon-Batenburg, P. Parois, A. M. M. Schreurs and M. Lutz

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Modelling thermal scattering and solving structures using Z-contrast imaging

L. J. Allen, A. J. D'Alfonso, B. D. Forbes, N. R. Lugg, A. V. Martin, S. D. Findlay, J. M. LeBeau and S. Stemmer

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SrTiO₃ surface structures from diffraction and DFT: homologous series and glasses

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JANA2006 as a unique tool to refine nuclear and/or magnetic structures using ToF data

O. Gourdon, A. Huq, J. Hodges and L. Heroux

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Fitting a square peg into a round hole: simulating a modulated protein crystal

J. J. Lovelace, V. Petricek, M. Dusek, S. S. van, G. N. Murshudov and G. E. O. Borgstahl

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Higher-dimensional crystallography of n-fold quasiperiodic tilings (n = 7–15)

S. Deloudi and W. Steurer

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Radiation damage and Mn metalloproteins

J. Yano, J. Kern, V. K. Yachandra and J. Whittaker

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Radiation damage to protein crystals is reduced with a micron-sized X-ray beam

R. F. Fischetti, R. Sanishvili, D. Yoder, S. Pothineni, G. Rosenbaum, S. Xu, O. Makarov, S. Stepanov, V. Nagarajan, S. Vogt and J. L. Smith

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The role of hydrogen in radiation damage

A. Meents, A. Wagner, M. Gutmann, D. Heintz and A. Burkhardt

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Temperature and time dependent studies of radiation damage

R. E. Thorne, M. Warkentin, J. Kmetko, R. Badeau and J. B. Hopkins

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Combining X-ray diffraction and in situ spectroscopy to study haem proteins

H.-P. Hersleth, X. Zhao, R. S. Magliozzo and K. K. Andersson

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Structural basis of double-stranded RNA recognition by RIG-I

D. Luo and A. M. Pyle

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Crystallographic insights into the structure of spliceosomal snRNPs

C. Oubridge, J. Li, D. A. P. Krummel, A. K. W. Leung, J. Li and K. Nagai

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Structural studies of a CRISPR RNA processing endonuclease

H. Li, R. Wang, G. Preamplume and H. Zheng

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Procrustean bed of RNA silencing suppression

J. Tamjar, E. Katorcha, A. N. Popov and L. Malinina

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Biochemical studies of the snRNPs core domain formation in Saccharomyces cerevisiae

W. Galej and K. Nagai

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Graphical tools for structure determination and refinement in PHENIX

N. Echols, P. V. Afonine, G. Bunkóczi, V. B. Chen, I. W. Davis, J. J. Headd, L.-W. Hung, G. J. Kapral, R. W. Grosse-Kunstleve, A. J. McCoy, N. W. Moriarty, R. Oeffner, R. J. Read, D. C. Richardson, J. S. Richardson, T. C. Terwilliger, P. H. Zwart and P. D. Adams

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More speed, more data, more automation, less work!

A. W. Ashton and G. Winter

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New phasing methods for high-throughput crystallography

C. Giacovazzo, M. C. Burla, R. Caliandro, B. Carrozzini, G. L. Cascarano, G. Comunale, A. Mazzone, G. Polidori and D. Siliqi

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On the systematic scaling and merging of multiple datasets in macromolecular crystallography

J. Foadi, Y. Alguel, W. Armour, D. Axford, A. Cameron, R. Owen, D. Waterman and G. Evans

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LAFIRE: automated refinement software for biomacromolecular crystallography

K. Yamashita, Y. Zhou, M. Yao and I. Tanaka

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Hydrogen bonds: the toolkit

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Strong hydrogen bonds in crystals under high pressure

P. Macchi and N. Casati

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Determining hydrogen positions in hydrogen-bonded structures: a CSD survey

M. Lusi and L. J. Barbour

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Pharmaceutical cocrystals model drug–receptor interactions

M. Tutughamiarso and E. Egert

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Hydrogen bonding in amino acid racemates and a game of side-chain domino

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Combined X-ray diffraction and absorption measurements of active catalysts

J. Hanson, J. Rodriguez, L. Barrio and A. Frenkel

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Modulation enhanced diffraction: a new tool for solving crystal structures and study solid-state kinetics

W. van Beek, D. Chernyshov, H. Emerich, A. Urakawa, L. Palin, D. Viterbo, R. Caliandro and M. Milanesio

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Non-destructive determination of minerals and their locations within chalk

H. O. Sørensen, S. Schmidt, S. Hakim, S. Pedersen, B. C. Christiansen, C. P. Hem, C. Frandsen, R. Feidenhans'l and S. L. S. Stipp

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Combining µ-XRD² and DTA: deeper insights in temperature-dependent processes

N. Huber, C. Berthold and K. G. Nickel

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Powder X-ray diffraction combined with solid state and ¹²⁹Xe NMR to study supramolecular crystalline materials

P. Sozzani, A. Comotti, S. Bracco and G. Distefano

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Structure of silicate liquids in the deep Earth

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Structure of water under high temperature and pressure

Y. Katayama, T. Ikeda, T. Hattori, H. Saitoh, K. Aoki, H. Fukui, Y. Tange and K. Funakoshi

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Stability of hydrocarbons at deep Earth pressures and temperatures

L. Spanu, D. Donadio, D. Hohl, E. Schwegler and G. Gallia

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High-pressure amorphization processes in water–methane clathrates

C. A. Tulk, D. D. Klug, A. M. dos Santos and J. J. Molaison

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In situ chemical partitioning of trace elements between silicate and iron rich liquids at extreme conditions

S. Petitgirard, M. Borchert, D. Andrault, K. Appel, H. P. Liermann and M. Mezouar

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Structure and electronic properties of free, supported and protected clusters

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Pushing all-electron DFT past old limits for structure of surfaces and molecules

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Optimization of materials with time-dependent density functional theory

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Density functional calculations of electron energy loss data and inelastic mean free paths in elemental and binary materials

J. D. Bourke and C. T. Chantler

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Topological analysis of charge densities obtained from experiment and plane-wave calculations

A. A. Korlyukov and M. Yu. Antipin

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Advances in instrumentation, automation and validation of fast XAFS experiments

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Standardizing data formats for X-ray absorption spectra and libraries

M. Newville, B. Ravel, V. A. Sole, G. Wellenreuther, J. R. Hester and D. S. Dale

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Revisit the basics to optimize detection systems and time-resolved XAFS

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Development and adoption of scientific data exchange frameworks: a CIF perspective

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Element-selective X-ray imaging of growing chemical patterns

M. Mizusawa and K. Sakurai

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Structural biology of eukaryotic gene transcription

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Crystal structures of bacterial and yeast ribosomes

M. Yusupov, A. Ben-Shem, L. Jenner, N. Demeshkina and G. Yusupova

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The GAL regulon in S. cerevisiae: the Gal3p/Gal80p interaction

T. Lavy, R. K. Prakash, H. He and L. Joshua-Tor

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Structure and function of human BMAL1–CLOCK–DNA complex

Z. Wang and X.-D. Su

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Crystal structure analysis of release factor 3

K. Kihira, Y. Shimizu, Y. Shomura, M. Kitamura, A. Nakagawa, T. Tsukihara, T. Ueda, K. Ochi and Y. Higuchi

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Electron crystallography: harder, better, faster, stronger

A. Stewart, E. Mugnaioli, T. E. Gorelik, I. Andrusenko and U. Kolb

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Modulated structures and TEMs: from relaxor ferroelectrics to nano-chessboards

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Bonding charge density in SrTiO₃ under an electric field measured by electron diffraction

A. W. S. Johnson, P. N. H. Nakashima and T. J. Frankcombe

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Automated quantitative three-dimensional electron diffraction rotation tomography

P. Oleynikov, S. Hovmöller and X. Zou

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Electrostatic potential analysis of the rhombohedral phase of ferroelectric BaTiO₃ using CBED

K. Tsuda, R. Sano and M. Tanaka

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Photomechanical motion of molecular crystals

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Structural studies on photoactivated transition metal complexes

P. R. Raithby, S. K. Brayshaw, S. Fuertes, L. E. Hatcher, S. Schiffers, A. J. Stevenson, M. R. Warren, C. H. Woodall, D. R. Allan and S. J. Teat

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Real-time dynamics of solid molecular switches and 'machines' investigated with ultrafast pulsed X-ray radiation

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Time-resolved photo-crystallography of ruthenium sulfur dioxide complexes

J. M. Cole and A. E. Phillips

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Photoexcited state crystallography of luminescent hexanuclear d¹⁰ metal complexes

Y. Ozawa, T. Ishida and K. Toriumi

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A-site ordered perovskite-structure oxides with functional properties

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Electron crystallography for Li-based battery materials

J. Hadermann, A. M. Abakumov, N. R. Khasanova, E. V. Antipov and G. Van Tendeloo

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Oxygen tilts against polar shifts in the multiferroic BiFeO₃

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Photorefractivity via linkage isomerism: from detecting small responses to engineering large ones

A. E. Phillips and J. M. Cole

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Control of thermal expansion behavior by Zn deficiency in Mn₃Zn_1−xN

Q. Huang, C. Wang, L. Chu, Q. Yao, M. M. Wu, Y. Sun, J. W. Lynn and D. A. Neumann

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Neutron structure of type-III antifreeze protein leads to ice interface model

A. Podjarny, M. P. Blakeley, I. Petit-Haertlein, M. Haertlein, A. Cousido-Siah, T. Petrova and E. I. Howard

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Neutron scattering reveals human pyruvate dehydrogenase complex organisation

O. Byron, G. Lindsay, S. Vijayakrishnan, S. Kelly, D. Bhella, D. McGow, M. Nutley, A. Cooper, P. Kropholler, P. Callow, T. Forsyth, R. Gilbert and D. Gilbert

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Neutron high-resolution crystallographic study of perdeuterated Pyrococcus furiosus rubredoxin

M. G. Cuypers, S. A. Mason, M. P. Blakeley and V. T. Forsyth

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Active site protonation states of perdeuterated Toho-1 beta lactamase

L. Coates, S. J. Tomanicek, K. K. Wang, K. L. Weiss, M. P. Blakeley, Y. Chen and J. Cooper

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Deuteration of oleic acid, lipids and other molecules for neutron studies

T. Darwish, E. Luks, G. Moraes, M. Gillon, T. Hunt, T. Hanley, M. James and P. Holden

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Cyber-enabled learning and practice in crystallography: educating the next generation

K. A. Kantardjieff

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Promoting crystallography: using crystal structures in chemical education

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Experimental determination of chemical structure in the undergraduate curriculum

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Writing crystal structure reports in collaboration with undergraduate students

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Applied crystal chemistry for chemists and materials scientists

E. V. Boldyreva and V. S. Minkov

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Measures of complexity

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Frustrated order

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Local rules and global order

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Aperiodic structures, order and disorder, complexity and entropy

S. I. Ben-Abraham, A. Quandt and D. Shapira

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Inhibition of SNARE-mediated membrane fusion by VARP

I. B. Schäfer, G. G. Hesketh, N. A. Bright, J. P. Luzio, D. J. Owen and P. R. Evans

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Structure of the human histamine H1 receptor with doxepin

T. Shimamura, M. Shiroishi, S. Weyand, H. Tsujimoto, G. Winter, V. Katritch, R. Abagyan, V. Cherezov, W. Liu, G. W. Han, T. Kobayashi, R. C. Stevens and S. Iwata

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Towards a structural understanding of drug and peptide transport within the proton-dependent oligopeptide transporter (POT) family

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Molecular basis of substrate-induced permeation by an amino acid antiporter

M. Palacín, L. Kowalczyk, M. Ratera, A. Paladino, P. Bartoccioni, E. Errasti, E. Valencia, G. Portella, S. Bial, A. Zorzano, I. Fita, M. Orozco, X. Carpena and J. L. Vázquez-Ibar

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Crystal structure of the copper pump

X.-Y. Liu, P. Gourdon, T. Skjørringe, J. P. Morth, L. B. Møller, B. P. Pedersen and P. Nissen

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Challenges for refinement at low resolution

A. T. Brunger, G. F. Schröder and M. Levitt

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Lessons of diffraction resolution and the crustacyanin structures

J. R. Helliwell

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Studying membrane fusion at molecular resolution

T. Zeev-Ben-Mordehai, U. E. Maurer, J. T. Huiskonen, O. Avinoam, R. J. Eisenberg, G. H. Cohen, B. Podbilewicz and K. Grünewald

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Low-resolution electron crystallography challenges in organic and inorganic crystals with transmission electron microscope (TEM)

S. Nicolopoulos, E. Rauch, D. Georgieva and J. P. Abrahams

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Low-resolution neutron crystallography of biological macromolecules

S. C. M. Teixeira, J. Allibon, S. Mason, T. Forsyth, B. Demé and M. Johnson

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Handedness of two-fold helices and chiral space groups

M. Miyata, N. Tohnai, I. Hisaki and T. Sasaki

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Molecular building block approach to chiral coordination polymers and noncovalent porous materials

I. Justyniak, T. Kaczorowski, D. Prochowicz, J. Lipkowski and J. Lewiński

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Chiral discrimination in the solid state

N. B. Báthori and L. R. Nassimbeni

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Chirality in halogen-bonded supramolecular architectures

G. Terraneo, S. Biella, P. Metrangolo, T. Pilati and G. Resnati

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Precise absolute structure determination for light-atom structures

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Anion-deficient perovskites modulated by periodic translational interfaces

A. Abakumov, D. Batuk and J. Hadermann

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Minerals in superspace

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Modulated molecular compounds

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Complex ordering states in solid chemistry

O. Pérez, S. Malo, L. Adam and M. Hervieu

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Relationship of the aperiodic structure to the nanostructure

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Twenty years of the crystallographic information framework

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Data management for photon and neutron sources

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Crystaleye: publication and re-use of open semantic crystallographic data

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The wwPDB working format: a simplified application of CIF technology

J. Westbrook, H. M. Berman, J. Young and G. J. Kleywegt

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Active data dictionaries: a future role for DDLm

N. Spadaccini and S. Hall

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Quantum nature of the hydrogen bond

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Quantum protons in hydrogen bonds

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Putting the squeeze on hydrogen bonds

C. L. Bull, J. S. Loveday, R. J. Nelmes, M. Guthrie and K. Komatsu

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Stereochemistry and charge density of hydrogen bonds with oxygen acceptor

C. Jelsch, M. Ahmed, B. Guillot, S. Domagala and C. Lecomte

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Water structure is important – OH⋯π hydrogen bonds in p-sulfonatocalix[4]arene

K. Fucke, J. A. K. Howard and J. W. Steed

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Degradation studies of cultural heritage materials using µ-XANES and µ-XRD

K. Janssens, L. Monico, M. Radepont, W. De Nolf, G. Van der Snickt and M. Cotte

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X-ray computed tomography: a powerful diagnostic technique for art and cultural heritage

M. P. Morigi, F. Casali, M. Bettuzzi and R. Brancaccio

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Investigations of ancient Egyptian faience using XAS and PD

K. Wallwork, P. Kappen and M. Eccleston

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Evidence of the role of Zn and Fe cations as dopants in lead antimonate yellow by X-ray absorption spectroscopy (XAS)

F. Dacapito, L. Cartechini, C. Miliani, F. Rosi, V. Manuali, B. G. Brunetti and A. Sgamellotti

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Practical experience with powder XRD microdiffraction in forensic science field

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Strategies in the crystallization of a glycoallergen and a F1-ATPase complex

A. Rodríguez-Romero, A. H. Santoyo, M. T. de Gómez Puyou and A. Gómez-Puyou

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Lipid-driven molecular complexes

G. G. Privé, K. Popovic and H. Ghanei

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Crystallization of a giant photosynthetic antenna complex – the phycobilisome

L. David, X. Li, A. Marx, R. Blankenship and N. Adir

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Crystal Direct: a new system for automated crystal harvesting

J. A. Márquez and F. Cipriani

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Humidity control can compensate the damage induced in protein crystals by alien solvents

C. Abad-Zapatero, R. Oliete, S. Rodríguez, J. Pous, L. Martinelli, I. Fita, T. Zhu, M. Johnson and A. Guasch

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Structural studies of an endotoxin biosynthesis enzyme from Neisseria meningitidis

A. Vrielink, C. Wanty, A. Anandan, S. Piek and C. Kahler

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Structure of respiratory complex I

L. Sazanov, R. Efremov and R. Baradaran

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Structure of lysine oxidase with a cysteine tryptophylquinone in the active site

F. J. Medrano, A. Sanchez-Amat and A. Romero

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Crystal structures of [NiFe] hydrogenase maturase complexes

S. Watanabe, R. Matsumi, H. Atomi, T. Imanaka and K. Miki

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Metastability in supersaturated solution and transition towards chirality in the crystallization of NaClO₃

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Sergeants and soldiers in two dimensions: amplification of chirality in molecular monolayers at surfaces

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Facet-specific binding of amino acid analogues on quartz

T. R. Walsh and L. Wright

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Noncovalent interactions of aromatic molecules

S. D. Zarić, G. Janjić, D. Sredojević, D. Veljković, J. Andrić, D. Ninković, P. Petrović and D. Vojislavljević

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Formation and structure of fullerene and cubane based cocrystals

E. Kováts, G. Bortel and S. Pekker

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Automating mail-in data collection at 11-BM at the APS

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Automation and efficiency in the powder structure solution by EXPO package

A. Altomare, C. Cuocci, C. Giacovazzo, A. Moliterni and R. Rizzi

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Pushing the limits of powder charge flipping

L. B. McCusker, C. Baerlocher and L. Palatinus

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Algorithm and performance of a new powder indexing software Conograph

R. Oishi-Tomiyasu and T. Kamiyama

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Chemical selectivity in structure determination by modulation enhanced X-ray diffraction

M. Milanesio, W. van Beek, L. Palin, R. Caliandro, D. Viterbo, A. Urakawa, D. Chernyshov and H. Emerich

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Polarized neutron and light scattering from magnetic nanostructures under AC field

B. P. Toperverg

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Understanding the interface properties of magnetic heterostructures

Y. Liu and S. G. E. te Velthuis

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Structural and polarized neutron reflectrometry characterization of Fe₁₆N₂ thin films with giant saturation magnetization

J.-P. Wang, N. Ji and V. Lauter

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Iron vacancy superstructure and room-temperature antiferromagnetic order in superconducting X_yFe_2−xSe₂ (X = K, Cs, Rb)

V. Yu. Pomjakushin, D. V. Sheptyakov, E. V. Pomjakushina, A. Krzton-Maziopa, K. Conder, D. Chernyshov, V. Svitlyk and Z. Shermadini

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Magnetostriction and phase separation in PrMn₂Ge_2−xSi_x compounds

S. J. Kennedy, J. L. Wang, S. J. Campbell, M. Hofmann, R. Zeng and S. X. Dou

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Harnessing students to advance e-learning

R. Resel and P. Hadley

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WebCSD: bringing the Cambridge Structural Database to undergraduate teaching

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Remote access to SSRL crystallography beamlines: tools for education and training

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Structure utilities hosted by the Bilbao crystallographic server

M. I. Aroyo, E. S. Tasci, G. de la Flor, D. Orobengoa and J. M. Perez-Mato

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Jpowder: a Web/Java based program for the display of powder diffraction data

A. J. Markvardsen, K. Puphaiboon, M. Arjeneh, K. Shankland, H. L. Guest, T. A. N. Griffin, D. R. Badhama and D. W. Flannery

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Solving the incommensurately modulated structure in profilin:actin crystals

G. E. O. Borgstahl

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Soft quasicrystals. Thermodynamic stability of complex structures

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Incommensurate tiling in η′-Cu_3+x(Si,Ge) determined by electron diffraction

L. Palatinus, M. Klementová, V. Dřínek, M. Jarošová and V. Petříček

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Dynamics of the inner tetrahedron in the ZnSc 1/1 quasicrystal approximant: experiment and simulation

M. de Boissieu, H. Euchner, T. Yamada, S. Rols, H. Schober, R. Tamura and M. Mihalkovic

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Exotic ground states: a study in the structural effects of frustration and dimensionality

M. C. Menard, R. Ishii, S. Nakatsuji, N. Haldolaarachchige, D. Young and J. Chan

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Open meeting of the Commission on Journals

P. R. Strickland, G. Kostorz, D. Schwarzenbach, C. P. Brock, A. Linden, E. N. Baker, Z. Dauter, W. T. A. Harrison, J. Simpson, M. Weil, H. M. Einspahr, M. S. Weiss, A. R. Kaysser-Pyzalla, G. E. Ice, A. Kvick and T. Ohta

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Open meeting of the Commission on International Tables for Crystallography

C. P. Brock, M. I. Aroyo, T. R. Welberry, D. B. Litvin, M. G. Rossmann and C. Gilmore

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Crystal structure of a dimeric fungal α-type carbonic anhydrase

J. A. Cuesta-Seijo, M. S. Borchert, J.-C. Navarro-Poulsen, K. M. Schnorr, S. B. Mortensen and L. L. Leggio

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Structural analysis of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni

C. Protsko, S. A. Dalrymple, M. B. Poulin, T. L. Lowary and D. A. R. Sanders

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Brucella abortus DRL structure: new antibiotics target against animal pathogens

B. M. Calisto, J. Pérez-Gil, M. Rodríguez-Concepción and I. Fita

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Structural study of enzymatic anti-Baldwin ring closure in polyether formation

K. Hotta, X. Chen, R. S. Paton, A. Minami, H. Li, K. Swaminathan, I. Mathews, K. Watanabe, H. Oikawa, K. N. Houk and C.-Y. Kim

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A pentavalent G-actin:RPEL assembly required for regulation of MRTF-A subcellular localisation

S. Mouilleron, C. A. Langer, S. Guettler, N. Q. McDonald and R. Treisman

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The molybdenum storage protein – a special kind of metallo-protein

J. Poppe, R. Huelskoetter, B. Kowalewski, K. Schneider and U. Ermler

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Features critical for membrane binding revealed by DivIVA crystal structure

M. A. Oliva, S. Halbedel, S. Freund, T. Leonardl, D. Veprintsev, L. Hamoen and J. Löwe

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Structural basis for complement Factor I control and its disease-associated sequence polymorphisms

P. Roversi, S. Johnson, J. J. E. Caesar, F. McLean, K. J. Leath, S. A. Tsiftsoglou, B. P. Morgan, C. L. Harris, R. B. Sim and S. M. Lea

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Protein complex structures inform about the reactivity of the hemoprotein MauG

L. Jensen, R. Sanishvili, N. A. Tarboush, V. Davidson and C. Wilmot

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Structures of glucoside hydrolases from human gut microbiome

A. Joachimiak, K. Tan, K. Michalska and G. Babnigg

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Structure of FoxE, a Fe(II) oxidoreductase involved in anoxygenic photosysnthesis

L. Pereira, I. H. Saraiva, R. Coelho, D. K. Newman, R. O. Louro and C. Frazão

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Crystal structure of zinc-finger domain of Nanos and its functional implications

H. Hashimoto, K. Hara, A. Hishiki, S. Kawaguchi, T. Yoshizawa, S. Unzai, Y. Tamaru, T. Shimizu and M. Sato

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Structural characterization of the [Co^II(TPP)(18-C-6)₂] complex

Y. Belghith, M. S. Belkhiria, A. Bujacz, G. Bujacz and H. Nasri

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Refinement of the Vault particle using DEN protocols with NCS constraints

A. Casañas, N. Verdaguer and I. Fita

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Preparation and characterization of the complex [Co^III(TpivPP)(4,4′-bipy)(Cl)]

A. Mansour, M. S. Belkhiria, J.-C. Daran and H. Nasri

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Interaction of Alzheimer β-amyloid and metal complexes with lipid bilayers

M. Suwalsky, S. Bolognin and P. Zatta

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Structural studies of GH31 and GH32 glycoside hydrolases

S. Oerum, H. A. Ernst, S. Larsen, H. Nakai, N. Nakai, M. A. Hachem, B. Svensson, J.-C.N. Poulsen and L. L. Leggio

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Structure of the chloride-dependent E290S-LeuT mutant from Aquifex aeolicus

A. K. Kantcheva, A.-M.L. Winther, M. Quick, J. A. Javitch and P. Nissen

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Structural and functional characterization of transactivation domain of BRCA1

L. R. Yadav and A. K. Varma

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The crystal structure of TBC domain of human GapCenA

R. Janowski, M. Boutin and M. Coll

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Expression, purification, crystallization and preliminary X-ray crystallographic analysis of human malonyl coa decarboxylase

D. Aparicio, R. Pérez, X. Carpena, P. Loewen and I. Fita

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The crystal structure of the p27 component of human dynactin

A. K. Kowalska, M. Zheng, U. Derewenda and Z. S. Derewenda

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Structural characterization of pneumococcal surface protein PGK by X-ray diffraction

N. Bernardo-García, M. Fulde, S. Bergmann and J. A. Hermoso

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Structure of ubiquitin-like small archaeal modifier protein 1 (SAMP1) from Haloferax volcanii

Y. J. Jeong, B.-C. Jeong and H. K. Song

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Structural insights of the S1 pocket in the yeast 20S proteasome

T. Maekawa, K. Nishio, U. Bahrudin, I. Hisatome, Y. Saeki, K. Tanaka, H. Yamaguchi and Y. Morimoto

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Structure of [NiFe] hydrogenase from Allochromatium vinosum in its Ni-A state

H. Ogata, P. Kellers and W. Lubitz

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Crystal structure of SNX11 PX domain reveals a dimer formation

J. Xu, T. Xu and J. Liu

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Structure determination of a KSR protein domain

D. Koveal, W. Peti and R. Page

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Crystallographic analysis at atomic resolution of the N-terminal lectin module of the LBL protein from Laccaria bicolor

I. Acebrón, B. de las Rivas, R. Muñoz and J. M. Mancheño

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Time-resolved analysis of catalytic reaction of copper amine oxidase from Arthrobacter globiformis

H. Yamaguchi, M. Kataoka, H. Oya, A. Tominaga, M. Ohtsu, T. Okajima and K. Tanizawa

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The influence of nickel ions on the photoswitching of the GFP-like protein PDM1-4

M. L. Van, N. N. Bich and H. K. Van

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Crystal structures of bacterial peptidoglycan amidase AmpD and an unprecedented activation mechanism

C. Carrasco-López, A. Rojas-Altuve, W. Zhang, D. Hesek, M. Lee, S. Mobashery and J. A. Hermoso

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Structure of a novel bacterial small molecule sensor domain with two ligands

E. Pineda-Molina, J. Lacal, J. A. Gavira, J. L. Ramos, J. M. García-Ruiz and T. Krell

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Non-catalytic glycogen-binding site and its functional role in glycogen synthase

A. Díaz, C. Martínez-Pons, I. Fita, J. C. Ferrer and J. J. Guinovart

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Structure study of UHRF1

K. Arita, K. Sugita, M. Unoki, T. Oda, S. Isogai, H. Tochio, M. Sato, M. Ariyoshi and M. Shirakawa

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Structure-based drug design of selective 5′-nucleotidases inhibitors

P. Pachl, J. Brynda, I. Rosenberg, M. Fabry and P. Rezacova

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Control of the capacity for structural polymorphism of a T=3 capsid protein

J. R. Castón, D. Luque, J. M. González, J. Gómez-Blanco, J. Chichón, I. Mena, I. Angulo and J. Bárcena

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Electron diffraction of submicron three-dimensional protein crystals

I. Nederlof, D. Georgieva and J. P. Abrahams

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Structural analysis of rice dwarf virus in vitro and in vivo

N. Miyazaki, F. Akita, A. Nakagawa, T. Omura and K. Iwasaki

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Structural studies of the DNA end resection complex from Pyrococcus furiosus

M. Bennett and K.-P. Hopfner

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Structural analysis of tubulin binding cofactor complexes by electron microscopy and image processing

M. Serna, J. Martin-Benito, G. Carranz, R. Janowski, R. Castaño, M. Coll, J. C. Zabala and J. M. Valpuesta

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Structures of a group II chaperonin

K. Zhang, L. Wang, Y. Huo, Z. Hu, Z. Dong and F. Sun

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The structure of the in vivo assembled CCT:G protein β1 subunit complex reveals a novel CCT substrate binding mechanism mediated by hydrophobic interactions

J. Cuéllar, C. W. J. Lai, R. L. Plimpton, K. T. Haines, C. J. Stowell, J. L. Carrascosa, B. M. Willardson and J. M. Valpuesta

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Self-assembly of copolymers containing a polypeptide block

V. Castelletto, G. E. Newby, Z. Zhu, I. W. Hamley and L. Noirez

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Ionic liquids (IL): structures model

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The crystal engineering approach to design the pheromone releasing LMWG

P. Sahoo, D. K. Kumar, S. R. Raghavan and P. Dastidar

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Structure of a new μ-oxalic acid-μ-oxalato dicaesium, Cs₂(H₂C₂O₄)(C₂O₄) at 100 K

H. Kherfi, M. Hamadène and A. Guehria-Laïdoudi

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Carbon nanotubes as nucleation agents in polypyrrolēcarbon nanotube nanocomposites

D. N. Huyen, L. H. Thanh and N. D. Thien

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Molecular structure of binuclear Ag(I) complex of phenyl bis(2-pyridyl)phosphine

B. T. Jahromi and A. N. Kharat

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Structures, thermal behaviors and magnetic properties of two fumarato-bridged lanthanides

B. Benmerad, K. Aliouane, N. Rahahlia, A. Guehria-Laïdoudi, S. Dahaoui and C. Lecomte

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Crystal structure and semi-empirical quantum chemical calculation of 1,5-bis(3-thiophenyl)-1,4-pentadiene-3-one

C. R. Girija, S. Shalini, M. M. Jotani, T. V. Venkatesha and G. N. Rao

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Characterization of some di-block copolymers and investigation of their temperature-dependent structural behaviors

I. Orujalipoor, C. Tükel, O. Çelik, S. İde, N. Genli and M. Değirmenci

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A SAXS study of an enzyme-reponsive self-assembling polymer/peptide conjugate

I. W. Hamley and V. Castelletto

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Characterization by SAXS of lignin from modified straw and bagasse sugarcane

P. Maziero, M. de Oliveira Neto, A. F. Craievich, I. Polikarpov and A. R. Gonçalves

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GISAXS with nanoparticles on liquids and with multilayer films on a lab source

J. Wiesmann, B. Hasse, C. Michaelsen, P. Siffalovic, K. Vegso, E. Majkova, J. Keckes and G. Maier

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SAXS and SANS for the better understanding of polymer processing

Y. Nozue, M. Shibayama, E. B. Coughlin and J. A. Kornfield

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More possibilities of membrane permeation for antimicrobial peptides investigated with biophysical methods

K.-L. Lou, J.-N. Jian, P.-T. Huang, S.-T. Shen, M.-H. Hsieh, U.-S. Jeng, H. W. Huang and M.-T. Lee

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Use of an inexpensive diffractometer for acquisition of SAXS data

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Structural changes and phase transition of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering

E. G. R. Putra, A. Patriati, Y. A. Mulyana, E. Shin and B. S. Seong

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Structural investigation on InAs/GaSb thin films

U. Kazan, A. Güzel, A. Kılıç, C. Tükel, S. İde and Y. Ergün

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Examination of structural changes in the tendons during the healing process

S. İde, E. H. Şen, C. Güngörmüş, D. Kolankaya and I. Orujalipoor

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In situ diffraction studies into the formation of jarosites

N. V. Y. Scarlett, I. E. Grey and H. E. A. Brand

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Crystal structure and magnetic transition in Mn_2−xFe_xP_1−yGe_y magnetocaloric compounds

D. Liu, Q. Huang, L. Zhang, X. Deng, M. Yue and J. Lynn

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In situ energy-dispersive diffraction studies of reaction layers in inert anodes

M. R. Rowles, M. J. Styles, I. C. Madsen, N. V. Y. Scarlett, K. McGregor, D. P. Riley, G. A. Snook, A. J. Urban, T. Connolley and C. Reinhard

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Crystal and magnetic structures of inorganic–organic frameworks using powder diffraction

P. J. Saines and A. K. Cheetham

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Temperature and pressure evolution of the crystal structure of A_x(Fe_1−ySe)₂ (A = Cs, Rb, K) studied by synchrotron X-ray diffraction

V. Svitlyk, D. Chernyshov, E. Pomjakushina, A. Krzton-Maziopa, K. Conder, V. Pomjakushin and V. Dmitriev

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Neutron diffraction on functional materials using special sample environments

M. Hoelzel, M. Hinterstein, W. W. Schmahl, A. Senyshyn, F. Dolci and H. Fuess

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Noble humidity control system for in situ X-ray powder diffraction at SPring-8

K. Miura, K. Osaka, S. Yamamura and Y. Sugawara

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Anisotropy of thermal expansion in borates as a result of collective atomic motion

R. Bubnova and S. Filatov

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General conception of increasing symmetry of crystals with rising temperature

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Hydrogen motions of Mg(OD)₂ and Ca(OD)₂ at several temperatures

T. Nagai, A. Sano-Furukawa, R. Iizuka, B. C. Chakoumakos and J. A. Fernandez-Baca

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Unexpected flexibility and coordination change in porous borosilicates upon heating

L. Leardini, A. Martucci, A. Alberti and G. Cruciani

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Study of crystallization of different titania thin films by in situ XRD measurements

R. Kužel, Z. Matěj, L. Nichtová, Z. Hubička and J. Buršik

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Structural behavior of anhydrous wadsleyite and forsterite

D. M. Trots, A. Kurnosov, T. B. Ballaran and D. J. Frost

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Ordering effects in BiFeO₃-based solid solutions

P. Teslenko, A. Pavlenko, L. Reznichenko, O. Razumovskaya and Y. Kabirov

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Structural study of SrPrMRuO₆ double perovskites by symmetry-mode analysis

E. Iturbe-Zabalo, G. J. Cuello and J. M. Igartua

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High-pressure behavior of high silica ferrierite

R. Arletti, S. Quartieri and G. Vezzalini

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Variable-temperature studies of three polymorphs of 1,3-nitrobenzoic acid

G. M. Wójcik and M. Wołcyrz

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Parametric symmetry-mode refinement of the structural phase transition of CuInSe₂

M. Müller, R. E. Dinnebier and S. Schorr

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Parametric XRD profile analysis of SnO₂ crystallite growth

F. Gispert-Guirado, R. G. Pavelko and E. Llobet

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Polarons and distortions in rare earth molybdates at high temperature

M. C. Guzmán-Afonso, M. E. Torres, C. González-Silgo, E. Matesanz and N. Sabalisck

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In situ X-ray diffraction study of the phase transitions in C4 olefin catalysts

H. Wang, Y. Ji, X. Zeng, X. Zhao and W. Huang

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Neutron diffraction studies of the ferroelectric phase of CdTiO₃

Q. Zhou, B. J. Kennedy and M. Avdeev

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300 bar in situ gas pressure cell for powder diffractometers

P. S. Whitfield, J. Ross and J. B. Parise

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A structural phase transition in the R₃Cu₄Sn₄ compounds (R = Ho, Er and Tm)

S. M. Pérez, R. Cobas, J. M. Cadogan, D. H. Ryan, R. Lora-Serrano, M. J. S. Figueira and F. Yokaichiya

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Behaviour of actinide pyrophosphates AnP₂O₇ at high temperatures: An = Th, U, Np, Pu

P. E. Raison, G. Wallez, K. Popa, D. Bregiroux, D. Bykov, N. Dacheux, N. Clavier, R. J. M. Konings, A. Fitch and L. Delevoye

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Crystal structure and phase transitions of mechanoactivated manganese oxides

S. A. Petrova, R. G. Zakharov and E. A. Pastukhov

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Hybrid instrument for in situ studies at the ESS

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Negative thermal expansion in trioxane silica sodalite (TRSS)

A. Martucci, L. Leardini, A. Alberti and G. Cruciani

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Structural study of Eu₂(MoO₄)₃ and Sm₂(MoO₄)₃ polymorphs

C. González-Silgo, M. C. Guzmán-Afonso, M. E. Torres, J. González-Platas, E. Matesanz, M. Castro and U. R. Rodríguez-Mendoza

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Recent developments at the ECHIDNA high-resolution neutron powder diffractometer

M. Avdeev and J. Hester

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High-pressure neutron diffraction study of Fe_1.087Te

J.-E. Jørgensen

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Magnetic ionic liquids 1-ethyl- and 1-butyl-3-methylimidazolium tetrachloroferrate(III). Crystallization monitored by powder X-ray thermodiffraction

L. Roces, B. Ramajo, J. R. García, S. García-Granda, A. G. Saiz, J. R. Fernández, I. de Pedro and J. A. Blanco

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Dynamic and crystallographic neutron studies of La_1−xBa_1+xGaO_4−2/x: toward a better understanding of the proton diffusion in new fuel cell materials

D. Gout, N. Jalarvo and O. Michael

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The tale of molecule VI: a benchmark sulfonimide in crystal structure prediction

H. C. S. Chan, J. Kendrick and F. J. J. Leusen

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Hybrid evolutionary approach for material design: search for superhard materials

A. O. Lyakhov and A. R. Oganov

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Crystal energy landscapes of intrinsically porous molecules

G. M. Day, E. O. Pyzer-Knapp, K. E. Jelfs and A. I. Cooper

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The lowest energy calculated structure of acridine was found

E. Schur, J. Bernstein, L. S. Price, P. W. Stephens and S. H. Lapidus

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Unexpected crystals: kryptoracemates and co-crystals of isomers

C. P. Brock, S. P. Kelley and L. Fábián

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NMR, X-ray and DFT studies on antioxidant triazolylbenzimidazole derivatives

A. Karayel, S. Özbey, G. Ayhan-Kılcıgil and C. Kuş

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Experimental and ab initio computational studies on N-(4-nitrobenzoyl)-N′-(1,5-dimethyl-3-oxo-2-phenyl-1H-3(2H)-pyrazolyl)thiourea

N. B. Arslan, C. Kazak and F. Aydın

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Guest polar ordering in 1,4,7-cyclohexane-1,2,4,5,7,8-hexaoxonane

C. X. Bezuidenhout, L. J. Barbour and C. Esterhuysen

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A comparative DFT study of the physical properties of a 1,2,4-triazole compound

M. Dinçer and N. Özdemir

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Lattice energy minimization and lattice dynamics calculations on pharmaceutical hydrates

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IMAGINE, a quasi-Laue single-crystal neutron diffractometer

P. Munshi, F. Meilleur, T. Koritsanszky, R. Blessing, B. Chakoumakos and D. Myles

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Creation of a new generation of coherent X-ray sources

A. R. Mkrtchyan, A. H. Mkrtchyan, V. R. Kocharyan and A. E. Movsisyan

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Pair of canted undulator MX beamlines proposed for NSLS-II

L. E. Berman, M. Allaire, M. Chance, W. Hendrickson, A. Héroux, J. Jakoncic, Q. Liu, A. Orville, H. Robinson, D. Schneider, W. Shi, A. Soares, V. Stojanoff, D. Stoner-Ma, M. Sullivan and R. Sweet

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Multilayer optics for novel sources in X-ray analytics

A. Kleine, B. Hasse, J. Graf, U. Heidorn, S. Kroth, F. Hertlein, J. Wiesmann and C. Michaelsen

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The new in situ screening facility at the MX beamlines BL14.1 at BESSY II of the Helmholtz-Zentrum Berlin (HZB)

K. S. Paithankar, M. Hellmig, R. Förster, M. S. Weiss and U. Mueller

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A flexible macromolecular crystallography beamline at the ALBA synchrotron

J. Juanhuix, J. Benach, C. Colldelram, G. Cuní, J. Lidón, J. Nicolás, E. Boter, C. Ruget and S. Ferrer

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High-brightness liquid-metal-jet X-ray tube

O. Hemberg, B. A. M. Hansson, M. Otendal, T. Tuohimaa and H. M. Hertz

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On the purirty of micro-source X-ray radiation

P. Macchi, H.-B. Bürgi, A. S. Chimpri, J. Hauser and Z. Gàl

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Ultra-fast dynamics of silver behenate investigated by FEL femtosecond radiation (FLASH)

W. Quevedo and I. S. Rajkovic

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iMATERIA, the versatile neutron diffractometer at J-PARC – the current status of iMATERIA

T. Ishigaki, A. Hoshikawa, M. Yonemura, K. Iwase, D. S. Adipranoto, T. Kamiyama, R. Tomiyasu-Oishi, Y. Morii and M. Hayashi

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Towards macromolecular crystallography beamlines at NSLS-II

D. K. Schneider, R. M. Sweet, M. Sullivan, D. Stoner-Ma, V. Stojanoff, A. Soares, W. Shi, H. Robinson, A. Orville, Q. Liu, J. Lidestri, J. Jakoncic, A. Héroux, W. A. Hendrickson, M. Chance, M. Allaire and L. E. Berman

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Construction of new time-of-flight single-crystal diffractometer SENJU at J-PARC

R. Kiyanagi, K. Oikawa, I. Tamura, T. Ohhara, T. Kawasaki, K. Kaneko, H. Kimura, M. Takahashi, T. Kiyotani, A. Nakao, T. Hanashima, K. Munakata, M. Arai, Y. Noda and K. Ohshima

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New developments for the phase 1 macromolecular crystallography beamlines at Diamond Light Source

R. Flaig, A. Ashton, M. Engel, D. Hall, K. McAuley, J. Nicholson, P. Romano, J. Sanchez-Weatherby, J. Sandy, T. Sorensen, M. Williams and G. Winter

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Structural evolution of poly(ether-b-amide12) elastomers during uniaxial drawing studied using in situ synchrotron WAXS and SAXS

S.-Y. Park, T. Kamal and Y.-W. Chang

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Facilities for macromolecular crystallography at BESSY II – HZB Berlin

M. S. Weiss, M. Bommer, R. Förster, M. Hellmig, M. Krug, K. Paithankar, S. Pühringer, M. Steffien and U. Mueller

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Colliding beam anomalous measurements for S and P phasing

J. M. Holton, K. A. Frankel, A. A. MacDowell and J. C. H. Spence

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Multiple Bragg reflections in cylindrically bent perfect crystals

P. Mikula, M. Vrana, J. Saroun, V. Em and B. S. Seong

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Modulation of microtubule protofilament interactions by modified taxanes

J. M. Andreu, R. Matesanz, J. Rodríguez-Salarichs, B. Pera, A. Canales, J. Jiménez-Barbero, W. Bras, A. Nogales, W.-S. Fang and J. F. Díaz

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A redox-controlled synergistic mechanism regulates the binding of the intrinsically disordered protein CP12 to photosynthetic glyceraldehyde-3-phosphate dehydrogenase

S. Fermani, G. Falini, A. Thumiger, L. Marri, F. Sparla, P. Pupillo, X. Trivelli, P. Trost, M. Calvaresi and F. Zerbetto

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Rotor architecture in the yeast F₁-c₁₀-ring complex of F-ATP synthase

A. Dautant, J. Velours, J.-C. Talbot, C. Stines-Chaumeil, D. Brèthes and M.-F. Giraud

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The penta-modular cellulosomal arabinoxylanase structure by X-ray crystallography and SAXS

S. Najmudin, J. L. A. Brás, A. R. Round, J. A. M. Prates, M. J. Romão, H. J. Gilbert and C. M. G. A. Fontes

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Crystal structure and nucleotide bound states of V₁-ATPase

N. Numoto, T. Kuranaga, Y. Nagamatsu, Y. Hasegawa, A. Kita, K. Takeda and K. Miki

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Structural analysis of MamA, a magnetosome associated protein from two different Magnetospirillium species

N. Zeytuni, G. Davidov and R. Zarivach

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The mechanisms of self-assembly of the vault, the largest cytoplasmic ribonucleo-protein complex

H. Tanaka, K. Kato, C. Fujita, E. Suemoto, T. Sumizawa, M. Yoshimura, Z. Yong, M. Yao, K. Iwasaki and T. Tsukihara

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Modeling the organization of molecules in collagen using the paracrystal concept

J. Doucet, F. Briki, A. Gourrier, C. Pichon, L. Gumez, S. Bensamoun and J.-F. Sadoc

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Structural changes of bovine cytochrome c oxidase dependent on the redox states

K. Muramoto, H. Fujisawa, N. Yano, T. Maeda, K. Shinzawa-Itoh, E. Yamashita, T. Tsukihara and S. Yoshikawa

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High-resolution analysis and anomalous dispersion analysis of bovine cytochrome c oxidase

N. Yano, K. Muramoto, M. Suga, T. Maeda, K. Shinzawa-Itoh, E. Yamashita, T. Tsukihara and S. Yoshikawa

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Structural basis of allosteric regulation of eukaryotic phosphofructokinases

M. Kloos, S. Marek, E. B. Kuettner, J. Kirchberger, T. Schöneberg and N. Sträter

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Molecular mechanism of metal selective uptake by neutrophil-activating protein

O. Tsuruta, H. Yokoyama and S. Fujii

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Crystal structure of the allosteric-defective chaperonin GroEL_E434K mutant

J. Agirre, A. Cabo-Bilbao, A. E. Mechaly, S. Spinelli, B. Sot, A. Muga and D. M. A. Guérin

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Structure determination of toxin complex from Clostridium botulinum serotype D

K. Hasegawa, T. Matsumoto, A. Yamano, K. Miyata, K. Inui, K. Niwa, T. Watanabe and T. Ohyama

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Structural insights into a dodecameric machine – the RuvBL1/RuvBL2 complex

T. M. Bandeiras, S. Gorynia, C. Vonrhein, P. Donner, P. M. Matias and M. A. Carrondo

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Perfect alignment of ribosomal protein S3 in creating an evolutionary tree

I. Xu, M. Chee, W. L. Duax, R. Huether and D. Dziak

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Underlying nets in three-periodic coordination polymers

E. V. Alexandrov, V. A. Blatov, A. V. Kochetkov and D. M. Proserpio

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Structural relationships in some monoclinic layered compounds

I. Rosales, L. Bucio and E. Orozco

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Using Lee–Richards surfaces to calculate close contacts and complex interfaces

H. J. Bernstein and L. C. Andrews

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Odd n-fatty acids C_nH_2nO₂ and their alloys on the X-ray powder diffraction data

E. Kotelnikova and J. Trushkina

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Structural deformations and phase transitions of normal paraffins

N. V. Platonova, E. N. Kotelnikova and S. K. Filatov

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Ab initio direct solution from powder data lower than atomic resolution

H. Xu, C. M. Weeks and R. H. Blessing

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Waste-free synthesis of the metallodrug bismuth subsalicylate

V. André, T. Friščić, I. Halasz, C. Curfs and M. T. Duarte

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X-ray powder diffraction study of five benzyloxy-benzene derivatives

B. Chattopadhyay and M. Mukherjee

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Structural elucidation by powder synchrotron diffraction of imidate palladium complexes

J. Pérez, I. da Silva, J. L. Serrano, J. García, M. Martínez and G. Sánchez

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Crystal structure from X-ray powder diffraction data with Z′ = 2

U. Das and A. K. Mukherjee

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TALP: a l.s. structure solution program of molecular compounds from powder data

O. Vallcorba, J. Rius, C. Frontera and C. Miravitlles

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Crystal structures and humidity-dependent phase transitions of Gly-L-Tyr hydrates

T. Kiyotani, T. Ida, S. Yamamura and Y. Sugawara

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Ab initio structure determination of a new phosphodiesterase enzyme inhibitor

A. R. Salimi, H. Eshtiagh-Hosseini, H. Sadeghian, F. Gozzo, M. M. Amini and H. R. Khavasi

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Powder structures of two pharmaceutically interesting alkylaminobisphosphonates

M. Lahtinen, P. Turhanen, A. Saari and J. Vepsäläinen

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Crystal structural change by guest sorption/release processes of the macrocyclic boronic ester

K. Fujii, H. Uekusa, Y. Kikuchi, H. Takahagi, K. Ono and N. Iwasawa

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Highly automated synchrotron beamline dedicated to SAXS on proteins in solution

L. Zerrad, P. Pernot, V. Rey-Bakaikoa, A. Round, F. Cipriani, A. Gobbo and J. Huet

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An automated sample environment for biological solution scattering experiments at third-generation synchrotrons

F. Cipriani, F. Felisaz, L. Fodinger, A. Gobbo, J. Huet, R. Moya, C. Villard, A. Round, M. Roessle, D. Svergun and P. Pernot

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Structural changes in DL-serine under hydrostatic pressure up to 4.3 GPa

B. A. Zakharov, B. A. Kolesov and E. V. Boldyreva

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Pressure enhancement of CH⋯O interactions in simple ethers

K. F. Dziubek and A. Katrusiak

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Structure study of IPMDH from piezosensitive and piezophilic Shewanella species

T. Nagae, T. Kawamura, L. Chavas, K. Niwa, M. Hasegawa, C. Kato and N. Watanabe

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Automation and remote control of the MX beamlines at the Canadian Light Source

P. Grochulski, M. Fodje, J. Gorin, S. Labiuk, K. Janzen and R. Berg

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New possibilities offered to crystallography by 6-axis robotic-arm based systems

J.-L. Ferrer, X. Vernede, P. Mazel, P. Rogues, F. Bouis, M. Privat, J.-L. Rechatin and N. Larive

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Automated characterization of nanotube membranes of large size by X-ray scattering

P. Launois, M. Huard, D. Petermann, J. Cambedouzou, M. Mille, A. Brouzes, M. Pinault, M. Mayne-L'Hermite and P. Boulanger

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JBluIce-EPICS beamline control system for macromolecular crystallography

S. Stepanov, M. Hilgart, O. Makarov, S. B. Pothineni, D. Yoder, M. Becker, C. Ogata, R. Sanishvili, N. Venugopalan, J. L. Smith and R. F. Fischetti

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Using GDA for novel data-collection methods

J. Aishima, P. Gibbons, R. Fearn, A. Ashton and K. Levik

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CrysAlisPRO: facilitating variable temperature experiments

A. Griffin and A. Bond

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I04-1, a fixed-wavelength protein crystallography station in its first year of operations

A. Douangamath, J. Brandao-Neto, R. Flaig, J. Aishima, R. Fearn, G. Winter and A. Ashton

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In situ crystallisation screening and data collection on microfocus beamline I24

D. Axford, W. Armour, J. Foadi, R. Owen and G. Evans

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Rapid shutterless data acquisition with a frame-transfer CCD

J. Wright, S. Petitdemange, L. Erra, A. King and G. Vaughan

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Automation and remote control at GM/CA CAT at the APS

C. M. Ogata, R. Sanishvili, M. Hilgart, S. Stepanov, M. Becker, V. Nagarajan, S. Xu, O. Makarov, S. Pothineni, D. Yoder, S. Corcoran, J. L. Smith and R. F. Fischetti

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Automated in situ diffraction screening at beamline X06DA at the Swiss Light Source

M. Wang, V. Olieric, C. Stirnimann, R. Bingel-Erlenmeyer, J. Schneider, J. Gabadinho, E. Panepucci, T. Tomizaki, X. Wang, R. Schneider, C. Pradervand, W. Glettig, A. Isenegger and C. Schulze-Briese

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Automated crystal harvesting, freezing and X-ray diffraction

M. Y. H. Khajepour, J.-L. Ferrer, X. Vernède, C. Berzin, M. Terrien, J. Joly, P. Mazel, P. Rogues and F. Bouis

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Biomimetic carbonate-apatite nanoparticles functionalized with doxorubicin for applications in nanomedicine

J. M. Delgado-López, M. Iafisco, I. Rodríguez-Ruiz, E. Varoni, M. Prat, L. Rimondini and J. Gómez-Morales

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Evolution of microstructure and crystallographic orientation during shell growth

P. Álvarez-Lloret, A. Rodríguez-Navarro and A. Checa

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Oriented nucleation of hemozoin at the food vacuole membrane in Plasmodium falciparum

S. Kapishnikov, A. Weiner, J. Als-Nielsen, M. Elbaum and L. Leiserowitz

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Single-crystal growth and characterization of lead hydroxyapatite

O. Saisa-ard and K. J. Haller

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Self-assembly of metallated TPP porphyrin by external dipyridyl ligands

A. Fidalgo-Marijuan, G. Barandika, B. Bazán, M. K. Urtiaga and M. I. Arriortua

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Confined nanovolumes for the study of calcium carbonate nucleation

J. G. Morales, S. Veesler, I. Rodríguez-Ruiz, Z. Hammadi, O. Grauby, M. Ildefonso, N. Candoni and J. M. García-Ruiz

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Gelling environments influence on the calcium carbonate precipitation: relevance in biomineralization

M. Sancho-Tomás, G. Falini, J. M. García-Ruiz, S. Goffredo and J. Gómez-Morales

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Self-assembled crystalline materials of calcium carbonate and silica

G. Zhang, J. G. Morales, D. Choquesillo-Lazarte, A. Rodríguez-Navarro and J. M. García-Ruiz

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Coordination polymers of N,N′-bis(pyridin-4-ylmethyl)hexanediamide (L): ligand conformation and the effect of metal to ligand ratio

E. Batisai, T. Le Roex and L. J. Barbour

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Crystal structures of histone chaperone CIA/ASF1-containing complexes

T. Senda, R. Natsume, Y. Akai, N. Adachi, Y. Hayashi, M. Eitoku, N. Sano and M. Horikoshi

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Methylation by CARM1: a structure-based approach to design inhibitors and peptide mimics

J. Cavarelli, P. Hassenboehler, J. Mailliot, N. Troffer-Charlier, S. Ajebbar, J.-M. Wurtz, V. Cura and A. Wagner

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Towards the molecular mechanism of Holliday junction resolution

S. Carr, A.-C. Déclais, D. M. J. Lilley and S. E. V. Phillips

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Structural insight into maintenance methylation by mouse DNA methyltransferase 1

K. Takeshita, I. Suetake, E. Yamashita, M. Suga, H. Narita, A. Nakagawa and S. Tajima

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Crystallographic studies of DNA minor groove binding drugs

D. G. Munnur, E. Mitchell, T. Forsyth, S. Teixeira and S. Neidle

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Specificity and efficiency in activity of anti-HIV actinohivin for sugar binding

M. M. Hoque, J. Jiang, K. Suzuki, M. Tsunoda, A. Takahashi, T. Sekiguchi, H. Tanaka and A. Takénaka

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Crystal structures of DNA containing X relevant to gastro-intestinal cancer

F. Zhang, J. Jiang, K. Suzuki, M. M. Hoque, M. Tsunoda, O. Wilkinson, C. L. Millington, D. M. Williams and A. Takénaka

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Crystal structure of the human thioredoxin reductase – thioredoxin complex implicates movement of the C-terminal redox center by 20 Å upon catalysis

K. Fritz-Wolf, S. Kehr, M. Stumpf, S. Rahlfs and K. Becker

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Ligand efficiency indices as a navigation tool in the transthyretin protein chemico-biological space to find new amyloidogenic inhibitors

D. Blasi, G. Arsequell, G. Valencia, J. Nieto, A. Planas, M. Pinto, N. B. Centeno, C. Abad-Zapatero and J. Quintana

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Structural basis for inhibition of interferon alpha signaling pathway and its therapeutic potential in SLE patients

Z.-J. Liu, S. Ouyang, B. Gong, J.-Z. Li, L.-X. Zhao, G.-P. Zhao, Y. Wang and M.-F. Liang

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Structure of peptide inhibitor of human islet amyloid polypeptide fibrillization

A. Misra, A. Mishra, V. Murthy, M. Gupta, B. Bhushan, S. Ramakumar and V. S. Chauhan

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Studies of nucleotide metabolism from blood fluke Schistosoma mansoni

H. M. Pereira, R. DeMarco, L. Romanelo, J. R. T. de Souza, V. E. A. Caldas, V. H. B. Serrão, A. Cassago and R. C. Garratt

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Sulfatide selective human glycolipid transfer protein

L. Malinina, V. Samygina, A. Cabo-Bilbao, A. N. Popov, B. Ochoa-Lizarralde, D. J. Patel and R. E. Brown

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Structural studies on novel antitubercular targets

A. Abuhammad, E. Fullam, I. Westwood, A. Russell, S. Davies and E. Sim

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ADP-Mg²⁺ bound to the ATP-grasp domain of human ATP-citrate lyase

M. E. Fraser, T. Sun and K. Hayakawa

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The structure of SFPQ/PSF, a multifunctional nuclear protein

M. Lee, D. M. Passon, A. H. Fox and C. S. Bond

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New HIV integrase inhibitors discovered through fragment screening

T. S. Peat, J. J. Deadman, D. I. Rhodes, J. Newman, O. Dolezal, N. Vandegraaff, J. A. Smith, G. Le, J. H. Ryan, C. L. Francis and G. P. Savage

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Structure of human glucokinase with disease-causing E339K mutation reveals changes in the ATP binding site

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Branched chain amino acid biosynthesis: a target for biocide discovery

L. W. Guddat, J. G. Wang, Y. T. Lee, N. Pue, E. Chow, S. H. Wong and J. A. Fraser

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Reversible DNA scission by type II topoisomerase from Streptococcus pneumoniae and its modification upon drug binding

I. Laponogov, X.-S. Pan, D. A. Veselkov, K. McAuley, L. M. Fisher and M. R. Sanderson

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Structure and molecular interactions of an anti-tumor antibody specific for EGFR

A. Talavera, R. Friemann, S. Gómez-Puerta, C. Martinez-Fleites, G. Garrido, A. Rabasa, A. Lopez-Requena, A. Pupo, R. F. Johansen, O. Sánchez, U. Krengel and E. Moreno

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Saquinavir resistance mechanism of non-active site mutants of HIV-1 protease

V. Prashar, S. Bihani, A. Das, J.-L. Ferrer and M. Hosur

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Toluene-sulfonic acid derivatives of 6-deoxyclitoriacetal, biological properties

C. Phurat, T. Teerawattananond and N. Muangsin

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Structural basis for inhibition of human and bacterial uridine phosphorylases by 2,2′-anhydrouridine, a modulator of 5-fluorouracil activity

A. A. Lashkov, A. G. Gabdoulkhakov, N. E. Zhukhlistova, C. Betzel, A. A. Shtil and A. M. Mikhailov

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Engineering corticosteroid-binding globulin to release new compounds at new sites

W. L. Chan, A. Zhou and R. J. Read

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Structure-based design of anti-trypanosomal drugs

M. P. Pinheiro, J. R. da Rocha, J. Cheleski, H. J. Wiggers, C. A. Montanari and M. C. Nonato

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Biophysical and biochemical characterization of fumarases from Leishmania major

P. R. Feliciano, M. D. Baruffi, A. J. da Costa Filho, P. A. M. Michels and M. C. Nonato

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Rational design of inhibitors of APE1 supported by crystallographic techniques

M. Tintoré, S. M. Francis, R. Gil, A. Morreale, A. R. Ortiz, F. M. Ruiz and C. Fábrega

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Structural studies of E. coli nitroreductase enzymes for use in gene therapy of cancer

M. A. Day, P. F. Searle, E. I. Hyde and S. A. White

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Crystal structures of PPARα in complex with synthetic and natural ligands

A. Bernardes, A. S. Godoy, D. B. B. Trivella, J. R. C. Muniz and I. Polikarpov

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Different binding modes of PPARγ ligands

A. C. Puhl, A. Bernardes, J. C. L. O. Campos and I. Polikarpov

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Structure determination (2) of anti-HIV actinohivin in complex with mannobioses

J. Jiang, M. M. Hoque, K. Suzuki, M. Tsunoda, A. Takahashi, T. Sekiguchi, H. Tanaka and A. Takénaka

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Preliminary studies on glucose-6-phosphate dehydrogenase from Trypanosoma cruzi

C. Ortíz, H. Botti, N. Larrieux, A. Medeiros, A. Buschiazzo and M. A. Comini

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X-ray crystal structure of Tec family kinase BMX

J. Muckelbauer, J. S. Sack, N. Ahmed, J. Burke, C.-Y. Chang, M. Gao, J. Tino, D. Xie and A. J. Tebben

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Structure analysis of inhibitor complex of OMP decarboxylase from P. falciparum

Y. Takashima, E. Mizohata, K. Tokuoka, Y. Kusakari, S. R. Krungkrai, H. Matsumura, J. Krungkrai, T. Horii and T. Inoue

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Functional characterization of UDP-glucose-4-epimerase from Aspergillus nidulans

S. Dalrymple, J. Ko, I. Sheoran and D. Sanders

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Structural study of the intertwined dimers of SH3 domains: biological implications of the domain swapping

A. Cámara-Artigas, J. M. Martin-Garcia, J. B. Roa and M. Andujar-Sánchez

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Structural basis for the wobbler mouse degeneration disorder caused by mutation in the subunit of the GARP complex

I. Tascón and G. A. Palacios

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Crystal structure of arabinose 5-phosphate isomerase from Bacteroides fragilis NCTC 9343 – a novel target for Gram-negative antibacterial drug development

H.-J. Chiu, A. M. Deacon and I. A. Wilson

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Crystal structure of human alpha-L-iduronidase

N. Maita, H. Taniguchi and H. Sakuraba

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Structural identification of nucleoprotein-nucleozin binding sites

B. Pang, H. Zhang, R. Kao and Q. Hao

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Crystal structure of NK2-heparin complex

R. Recacha, B. Mulloy and E. Gherardi

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Preliminary neutron crystallographic study of mutant transthyretin

T. Yokoyama, Y. Nabeshima, T. Hosoya, T. Ohhara, K. Kurihara, K. Kusaka, M. Mizuguchi, I. Tanaka and N. Niimura

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Structural study of protein-bound CNG repeats

E. Katorcha, J. Tamjar, A. Cabo-Bilbao, A. N. Popov, S. Delgado, B. Ochoa-Lizarralde and L. Malinina

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Structural characterization of atypical PKC iota complexes with substrates

E. Soriano and N. McDonald

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Structural study of Neisseria meningitidis iron-regulated protein FrpD

E. Sviridova, L. Bumba, P. Rezacova, P. Sebo and I. K. Smatanova

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Structures of methylthioadenosine phosphorylase (MTAP) from S. Mansoni

J. R. T. de Souza, R. DeMarco and P. H. D'Muniz

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Crystal structure of a metallo-β-lactamase from a multiresistant strain of A. baumannii

F. R. Calviño and A. Romero

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Fragment-based drug discovery applied to heat shock protein 90 (HSP90)

P. Pathuri, G. Chessari, M. G. Carr, M. Congreve, J. E. Coyle, P. J. Day, L. Fazal, M. Frederickson, B. Graham, J. Lewis, R. McMenamin, C. W. Murray, A. M. O'Brien, S. Patel, G. Williams, A. J. Woodhead and A.J.-A. Woolford

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Structure and binding analysis of active site inhibitors targeting HIV-1 RNase H

E. B. Lansdon, Q. Liu, S. A. Leavitt, M. Balakrishnan, J. K. Perry, C. Lancaster-Moyer, N. Kutty, X. Liu, N. H. Squires, W. J. Watkins and T. A. Kirschberg

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Structural basis of fosmidomycin's action on Plasmodium falciparum

N. Tanaka, T. Umeda, Y. Kusakabe, M. Nakanishi, Y. Kitade and K. T. Nakamura

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Structural investigation of Pim1 kinase

L. J. Parker, N. Handa, M. Shirouzu and S. Yokoyama

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Crystal structure of Cbl-b TKB domain in complex with Cblin (Cbl-b inhibitor)

T. Ueji, A. Shirakata, S. Kondoh, K. Nagano, A. Maita, N. Maita, Y. Okumura and T. Nikawa

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Crystal structure of the Leishmania major MIX protein

M. A. Gorman, A. D. Uboldi, P. J. Walsh, K. S. Tan, G. Hansen, T. Huyton, H. Ji, J. Curtis, L. Kedzierski, A. T. Papenfuss, C. Dogovski, M. A. Perugini, R. J. Simpson, E. Handman and M. W. Parker

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Identification of two imidazole binding sites in VAP-1

E. Bligt, V. Parkash, Y. Nymalm-Rejström and T. Salminen

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Crystal structure of a dimeric anti-HER2 human single domain antibody

S. Wang, T. N. Baral, S. Chao, S. Li, J. Tanha, M. Arbabi-Ghahroudi and J. Zhang

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Design, synthesis and X-ray crystallographic study of NAmPRTase inhibitors as anti-cancer agents

H.-S. Youn, H. You, I. Im, Y. Lee, M.-H. Bae, S.-K. Lee, H. Ko, Y.-C. Kim and S. H. Eom

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Structural studies of DnaK in complex with proline-rich antimicrobial peptides

M. Zahn, D. Knappe, N. Ereth, R. Hoffmann and N. Sträter

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X-ray crystal structures of aminoglycoside-2′′-phosphotransferase-IVa [APH(2′′)-IVa]

K. Shi and A. M. Berghuis

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Structural basis for inhibiting human tankyrases

M. Narwal and L. Lehtiö

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Crystal structure of the CBS domain pair of human CNNM4 transporter

J. Ereño, I. Gómez-García, I. Oyenarte and L. A. Martínez-Cruz

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Structural studies of Aspergillus fumigatus UDP-galactopyranose mutase

K. E. van Straaten and D. A. R. Sanders

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Solution of the structure of the TNF-TNFR2 complex

Y. Mukai, T. Nakamura, M. Yoshikawa, Y. Yoshioka, S. Tsunoda, S. Nakagawa, Y. Yamagata and Y. Tsutsumi

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The structure of BRMS1 nuclear export signal reveals a hexamer of coiled coils

M. Spínola-Amilibia, J. Rivera, M. Ortiz-Lombardía, A. Romero, J. L. Neira and J. Bravo

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The role of glutathione transferases in herbicide-resistant black grass weeds

E. Pohl, S. Freitag-Pohl, I. Cummins and R. Edwards

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Crystallographic studies of thioredoxin-interacting protein

G. Polekhina, S. F. Kok, D. B. Ascher and M. Waltham

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Crystallographic and SAXS studies of cancer-relevant forms of galectin-3

M. Waltham, S. F. Kok, M. Wilce, E. W. Thomspon and G. Polekhina

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Hinge-loop mutation can be used to control domain swapping of human cystatin C

M. Orlikowska, E. Jankowska, I. Behrendt, D. Borek, Z. Otwinowski, P. Skowron and A. Szymańska

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How group A Streptococcus alpha-enolase interacts with human plasmin(ogen)

D. Ericsson, A. J. Cork, E. Valkov, A. Stamp, A. Aquilina, M. J. Walker and B. Kobe

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Structures of N-acetylmannosamine kinase in complex with ADP/ATP for drug design

J. Martinez, L. D. Nguyen, W. Reutter, H. Fan, W. Saenger and S. Moniot

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Structural and functional determinants of protein kinase CK2α

G. Lolli and R. Battistutta

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Structural characterization of D-Phe-Pro-D-Arg-derived thrombin inhibitors

P. J. B. Pereira, A. C. Figueiredo, S. Macedo-Ribeiro, M. Philipp and C. C. Clement

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X-ray crystallographic studies of rationally designed dihydroorotate dehydrogenase inhibitors

P. Acklam, P. Bedingfield, F. Cunningham, D. Cowen, G. McConkey, C. Fishwick, P. Johnson and M. Parsons

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Two-phase behavior of crystalline β-hematin: link to hemozoin (malaria pigment)

T. Straasø, S. Kapishnikov, J. Als-Nielsen and L. Leiserowitz

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Crystal structure of human RNase H2

M. Figiel, H. Chon, S. Cerritelli, M. Cybulska, R. J. Crouch and M. Nowotny

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Investigation of interactions involving organic fluorine in trifluoromethylated benzanilides

P. Panini and D. Chopra

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Synthesis, crystal structure and theoretical calculations of isonicotinaldehyde-N-phenylsemicarbazone and biphenyl-4-carbaldehyde-N-phenylsemicarbazone

R. Mendoza-Meroño, L. Menéndez-Taboada, E. Suárez-Álvarez, E. Fernández-Zapico and S. García-Granda

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Crystal engineering of hydroxybenzoic acids. Influence of solvent in the synthon diversity and crystal packing

S. L. Sunil and T. N. Guru Row

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Synthesis and structures of binuclear dioxomolybdenum Schiff base complexes

K. M. Lo, R. W. C. Seng and N. K. Ngan

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Is molecular adduct formation predictable?

A. Delori and W. Jones

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O—H⋯N heterosynthon in co-crystals. Assemblies based on resorcinol derivatives

A. Núñez-Montenegro, R. Carballo and E. M. Vázquez-López

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Two in one: a Fréchet-type dendron manifesting conformational duality

L. Brelot, A.-M. Stadler and C. Bailly

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Inclusion compounds as secondary building units for supramolecular chemistry

J. A. Fernandes, A. I. Ramos, P. J. A. Ribeiro-Claro, S. S. Braga and F. A. A. Paz

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Crystal packing in a series of N-nitrophenylcarbomothioylalkylamides

J. Simpson, Y. W. Lee and T. Tagg

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Solvothermal synthesis of metal organic framework structures in Zn-Cd-Ni-OAc-DMF system

R. N. Petrova and B. L. Shivachev

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New low-melting molecular complexes of common solvents – crystallization, structures, packing motifs

D. S. Yufit and J. A. K. Howard

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The multiple phenyl embrace: a useful synthon in crystal engineering

J. M. M. Smits, F. F. B. J. Janssen, R. de Gelder, and A. E. Rowan

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Impact of metal coordination on amide synthons in picolinamide complexes

M. Đaković and Z. Popović

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The role of metal ion choice on the structure of coordination polymer materials

M. A. Fernandes

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Effect of ligand functionality in the structure of Zn^II one-dimensional coordination polymers

J. Restrepo-Guisao, M. E. G. Mosquera and P. Gomez-Sal

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Design and crystal structures of novel lamotrigine cocrystals

E. Lekšić, G. Pavlović and E. Meštrović

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Synthesis and structural analysis of cadmium dipicolinate coordination polymers and tetramers

C. L. Oliver and B. Kukovec

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Structural analysis of hexa-imidazole cobalt(II) 2-bromide tetrahydrate

Y. Yýldýrým, B. Karabulut and O. Büyükgüngör

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Structural analysis of hexa-4-methylimidazole nickel(II) 5-aminoisophthalate tetrahydrate

E. Temel, A. T. Çolak, O. Z. Yeşilel, H. Günay and O. Büyükgüngör

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When organic and metal–organic molecules cease to crystallize?

J. Fábry, R. Krupková and M. Kopecký

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Stacking interactions between phenanthroline ligands in square-planar complexes

D. B. Ninković, G. V. Janjić, P. V. Petrović and S. D. Zarić

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Structure and magnetic properties of nanoparticles Ni_0.5Zn_0.5Cr_0.1Fe_1.9O₄

L. M. Salah, E. Ateia and A. A. H. El-Bassuny

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Identification of single photoswitchable molecules in nanopores of silica xerogels using neutron powder diffraction

D. Schaniel, T. Woike, A. Cervellino, L. Keller and J. Schefer

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Pair-distribution function analyses of nanocrystalline organic pigments

M. Schmidt, L. Fink, E. Alig, C. W. Lehmann and C. Weidenthaler

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X-ray powder diffraction study of particle sizes of metastable Ru_xM_1−x (M = Ni, Cu)

A. Alexeyev and A. Borodin

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Synthesis, structure and properties of nanosized titanium dioxide with η-TiO₂ modification

G. M. Kuzmicheva, L. N. Obolenskaya, E. V. Savinkina, N. A. Prokudina, A. A. Natykan, D. N. Titov and V. V. Chernyshov

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(Micro)structure determination of ferrite nanoparticles using multiple techniques

B. Antić, A. Kremenović, N. Jovic, J. Blanusa, B. Jančar and E. S. Bozin

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NiO/Ni nanocomposite (micro)structure evolution induced by thermal annealing and milling

A. Kremenović, B. Antić, M. Vučinić-Vasić, M. Ristić, B. Jančar and J. Rogan

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Local environment of Co²⁺ ions intercalated in VO_x/hexadecylamine nanotubes

M. E. Saleta, G. Aurelio, F. Bardelli, H. E. Troiani, R. D. Sánchez, M. Malta and R. M. Torresi

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Crystal size effects in NiO

G. Kimmel, J. Zabicky, L. Herman, S. Gierlotka, D. Mogilyansky and R. Shneck

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Crystallographical characterization of nanocrystals PbS doped with Ni

J. Martínez-Juárez, O. Portillo-Moreno, M. Chávez-Portillo, J. Díaz-Reyes, R. Lozada-Morales and G. Juárez-Díaz

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X-ray scattering studies of amorphous and nanocrystalline pharmaceutical materials

M. Gateshki, M. Johnson, C. A. Reiss, D. Beckers, T. Dykhne and S. Billinge

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A new method for measuring X-ray rocking curves by means of X-ray acoustooptics

A. E. Blagov, M. V. Kovalchuk, A. V. Targonsky and Y. V. Pisarevsky

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Stability of the BaMF₄ (M = Mg, Zn, Mn) materials

A. Grzechnik, J. M. Posse and K. Friese

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Novel organic–inorganic hybrid materials prepared at elevated temperatures and pressures

G. D. de Delgado, J. M. Delgado, J. E. Contreras, T. González and A. Briceño

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Shock wave synthesis and properties of rocksalt-type of alumininium nitride

K. Keller, T. Schlothauer, M. Schwarz, G. Heide and E. Kroke

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New high-pressure–high-temperature forms in sesquioxides

S. V. Ovsyannikov, X. Wu, V. V. Shchennikov, A. E. Karkin and L. Dubrovinsky

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Phase stability of boron relative to β-boron at high pressure and high temperature

J. Qin, T. Irifune, T. Shinmei, H. Ohfuji and L. Lei

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Structural anomaly in a novel iron-based perovskite

I. Yamada, K. Tsuchida, K. Ohgushi, N. Hayashi, J. Kim, N. Tsuji, R. Takahashi, N. Nishiyama, T. Inoue, T. Irifune, K. Kato, M. Takata and M. Takano

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Electron and magnetic properties in high-temperature magnetic semiconductors at high pressure up to 7 GPa

A. Mollaev, I. Kamilov, R. Arslanov, S. Marenkin, T. Arslanov and U. Zalibekov

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Magnetovolume effect in diluted magnetic semiconductors CdGeAs₂:Mn andCdGeP₂:Mn at high pressure

R. Arslanov, A. Mollaev, I. Kamilov, S. Marenkin, V. Trukhan, T. Arslanov and U. Zalibekov

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Negative magnetoresistance in CdGeP₂:Mn induced by high pressure

T. Arslanov, A. Mollaev, I. Kamilov, R. Arslanov, S. Marenkin and U. Zalibekov

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Crystal structure refinement of Pt-base perovskite

M. Ochi, I. Yamada, K. Ohgushi, R. Takahashi, N. Nishiyama, T. Inoue and T. Irifune

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High-pressure synthesis, structure, and physical properties of a novel iron-based perovskite YCu₃Fe₄O₁₂

H. Etani, I. Yamada, K. Ohgushi, N. Hayashi, R. Takahashi, N. Nishiyama, T. Inoue, T. Irifune and M. Takano

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Novel high-pressure van der Waals compound in solid hydrogen–krypton mixtures

A. K. Kleppe, M. Amboage and A. P. Jephcoat

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High-pressure compounds in xenon–hydrogen mixtures

M. Amboage, A. K. Kleppe and A. P. Jephcoat

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Neutron diffraction study on the pressure-induced cubic-tetragonal structural distortion in LaD₂ using total scattering spectrometer NOVA

M. Honda, T. Hattori, A. Machida, A. Sano-Furukawa, Y. Katayama, K. Aoki, H. Arima, K. Komatsu, H. Ohshita and T. Otomo

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High-pressure structure and magnetism of one one-dimensional molecular magnetic material

J.-J. Lee, S.-M. Chen and Y. Wang

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Structure and OD character of 5M₃ ferriphlogopite from Ruiz Peak

M. Nespolo and I. Pignatelli

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Euclidean groups in spaces of arbitrary dimensions

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Three-dimensional space groups two-dimensional hyperbolic orbifolds and 'sponge' groups

S. T. Hyde, S. Ramsden and V. Robins

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Crystal planes in Clifford geometric algebra

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Symmetry relations and phase stability of magnesium borohydride Mg(BH₄)₂

W. Sikora, R. Caputo, A. Tekin, A. Kuna and A. Kupczak

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Local instability above T_c in ABO₃ perovskites with discontinuous phase transitions

K. Roleder, K. Szot, M. Górny, Z. Ujma, D. Kajewski, I. Jankowska-Sumara and A. Majchrowski

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A quinquethiophene based self-assembled monolayer for organic electronic applications

R. Resel, H.-G. Flesch, A. Moser, O. Werzer, E. C. P. Smits, S. G. J. Mathijssen, F. Gholamrezaie, H. J. Wondergem, S. A. Ponomarenko, D.-M. Smilgies, G. Hlawacek, Q. Shen, C. Teichert, P. Puschnig and D. M. de Leeuw

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Quick measurement of crystal truncation rod in multi-wavelength dispersive mode

T. Shirasawa, T. Takahashi, E. Arakawa, H. Tajiri, H. Toyokawa and T. Matsushita

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Ordering of pores in InP (001) subsurface multilayers: formation and structural characterization

A. Lomov, V. Punegov, D. Nohavica, P. Gladkov, D. Novikov and A. Vasiliev

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GISAXS study of interfaces in high-performance La/B₄C multilayer mirrors

M. Jergel, P. Šiffalovič, K. Végsö, E. Majková, S. Luby, J. Wiesmann, J. Perlich and S. V. Roth

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Temperature evolution of dauphine twins terminated at quartz (001) surface revealed by X-ray reflectivity

I. Takahashi and T. Kumagai

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Atomic-scale structure of plate-shaped precipitates in Al-Cu-based alloys

L. Bourgeois, C. Dwyer, M. Weyland, J.-F. Nie and B. C. Muddle

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A simultaneous multiple angle–wavelength dispersive X-ray reflectometer

E. Arakawa, T. Matsushita, W. Voegeli, Y. Higashi and Y. F. Yano

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Long-range order and interface stability in Co₂FeSi/GaAs hybrid structures

B. Jenichen, J. Herfort, T. Hentschel and A. Trampert

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The surface structure of nano-materials: combining in situ PDF analysis and IR spectroscopy

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Hysteresis effects of weak E fields on the domain structure in thin PbTiO₃ films

F. Mo, D. Chernyshov, R. H. Mathiesen, D. W. Breiby and T. Tybell

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The pyrite (100) surface structure in dry and aqueous ambient conditions

S. Meis, U. Magdans and X. Torrelles

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X-ray characterization of sol-gel TiO₂ thin films

M. A. Alterach, M. R. Rosenberger, D. G. Lamas, C. E. Schvezov and A. E. Ares

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Characterization of TiO₂ nano-films obtained by anodic oxidation of Ti-6Al-4V

M. L. Vera, N. A. Colaccio, D. Lamas, C. Schvezov and A. Ares

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Evaluation of polychromators for angle–wavelength dispersive X-ray reflectometry

W. Voegeli, T. Matsushita, E. Arakawa, Y. Higashi and Y. F. Yano

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The five twin laws of gypsum. A theoretical analysis on interfaces of the growth contact twin

M. Bruno, M. Rubbo, R. M. Francesco and A. Dino

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Structure of the whole plakin domain of plectin

E. O. Porterov, R. M. Buey and J. M. de Pereda

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Conformational plasticity of histidine kinases is key for signal transduction

A. Buschiazzo, F. Trajtenberg, D. Albanesi, H. Botti, N. Ruetalo, J. Forman, M. Nilges, D. de Mendoza and P. Alzari

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PLZF oncoprotein; an extensive SAXS analysis

K. N. Toft, M. G. Jeppesen, T. K. Nielsen, G. Prive and B. Vestergaard

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OST1 structure provides the basis of regulation in response to stress in plants

C. Yunta, M. Martínez-Ripoll, J.-K. Zhu and A. Albert

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The crystal structure of an Arabidopsis thaliana C2 domain

M. Diaz, M. Menendez, P. L. Rodriguez and A. Albert

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Mechanism of signaling by a receptor-independent, self-activating G-protein

M. Machius, J. Jones, J. Duffy, B. Temple, H. Dohlman and A. Jones

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Comparison of the structures and peptide binding specificities of the BRCT domains of MDC1 and BRCA1

S. J. Campbell, R. A. Edwards and J. N. M. Glover

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Structural and functional studies of potential cancer targets

J. W. Tang, M. A. Gorman, A. G. Frauman, C. M. House, D. D. L. Bowtell and M. W. Parker

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Structure of the N-terminal spectrin repeat of the plakin domain of BP230

M. G. Hernández, A. Sonnemberg and J. M. de Pereda

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Crystal structure of PK10, unique characteristics of a MAPK from Leishmania major

S. Horjales, D. Schmidt-Arras, A. Lima, C. Batthyany, G. Spaeth and A. Buschiazzo

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Crystal structures of adenomatous polyposis coli and its complex with Sam68

E. C. Morishita, K. Murayama, M. Kato-Murayama, T. Hayashi, T. Terada, N. Handa, M. Shirouzu, T. Akiyama and S. Yokoyama

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Structural insight into the SARAH domain from Mst2 kinase in the apoptosis pathway

E. Hwang, E.-H. Kim, M. Ethiraju, J. H. Ha and H.-K. Cheong

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Intermolecular communication between DnaK and GrpE in the DnaK chaperone system

C.-D. Hsiao, C.-C. Wu and V. Naveen

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Control of asymmetric cell division in developing Drosophila neuroblasts

M. Walden and T. Edwards

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Structural basis of dephosphorylating activity of PIP substrate in PTPRQ

S. J. Kim and K. R. Yu

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Structural investigation of RAP80; a novel BRCA1 interacting protein involved in the mediation of DNA damage repair function

V. S. Singh and A. K. Varma

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Cooperative DNA-binding mechanism of Aristaless and Clawless

K. Miyazono, Y. Zhi, K. Nagata, K. Saigo, T. Kojima and M. Tanokura

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Purification and crystallization of a protein-DNA complex

A. Rubio-Cosials, J. Sydow, N. Jiménez-Menéndez, P. Fernández-Millan, M. Coll and M. Solà

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An unfolding model for the GDP/GTP conformational switch of the GTPase Arf6

K. Aizel, V. Biou, P. Roblin, A. Thureau, E. Jacquet, E. Guittet, C. V. Heijenoort, M. Zeghouf, V. Buosi, J. Perez and J. Cherfils

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NTPDases of microbial pathogens

U. Krug, M. Zebisch and S. Norbert

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Structural studies of the NTF2-like domain of G3BP1

T. Vognsen, I. R. Möller and O. Kristensen

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A structure-guided approach to inhibition of HGF/SF–MET interactions

M. Blaszczyk, A. Sigurdardottir, A. Winter, E. Gherardi and T. L. Blundell

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The crystal structure of APPL2 BAR-PH domain

Y. Chen, B. Chen, A. Xu and Q. Hao

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Regulation of an Arabidopsis thaliana potassium channel

A. C. Sanjuán, M. D. Vergara, M. M. Ripoll, A. A. de la Cruz and M. J. S. Barrena

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Structure-based mutagenesis studies of human type II Hsp40, Hdj1

H. Suzuki, S. Noguchi, Y. Satow and T. Shimizu

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The crystal structure of the autoinhibitory domain of talin

S. Ye, X. Song and R. Zhang

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Reduced nDsbD sheds light on protein-protein interactions in disulfide cascades

E. Saridakis, D. A. I. Mavridou, P. Kritsiligkou, A. D. Goddard, J. M. Stevens, S. J. Ferguson and C. Redfield

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Crystal structure of acap1 involved in endocytic recycling

X. Pang, K. Zhang, Q. Zhou, J. Ma, M. Bai, V. W. Hsu and F. Sun

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APEH-mediated down-regulation of proteasome by potential anticancer molecules

M. Saviano, E. Langella, M. Gogliettino, P. Bergamo, M. Ruvo, A. Sandomenico, M. Rossi and A. Palmieri

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Structural basis for floral induction by rice florigen Hd3a

I. Ohki, K. Furuita, K. Hayashi, K. Taoka, H. Tsuji, A. Nakagawa, K. Shimamoto and C. Kojima

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Crystal structure of human importin-α (Rch1)

H. Miyatake, A. Sanjoh, G. Matsuda, Y. Tatsumi, N. Dohmae and Y. Aida

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Recent practices on sulfur SAD phasing using soft X-rays

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Multivariate methods for density modification of SAD phased maps

P. Skubak, W.-J. Waterreus and N. S. Pannu

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Phasing in the home laboratory

J. D. Ferrara, P. L. Magueres, M. Murray, J. W. Pflugrath and C. Yang

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Structural studies of serine acetyltransferase 1 from Entamoeba histolytica

S. Kumar, I. Raj, I. Nagpal, N. Subbarao and S. Gourinath

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Protein structure determination using Saturn A200 CCD at SPring-8 by MAD phasing

R. Hirose, G. Ueno, Y. Nakamura, K. Tomoo, T. Ishida, M. Yamamoto and K. Hamada

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PSI-Biology partnership projects at the Joint Center for Structural Genomics

A. M. Deacon, L. Jaroszewski, A. Godzik, S. A. Lesley and I. A. Wilson

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SR beamline for macromolecular assemblies by the Institute for Protein Research

A. Nakagawa, E. Yamashita, Y. Umena, M. Yoshimura, M. Suzuki, K. Hasegawa, Y. Furukawa, T. Ohata, T. Kumasaka, G. Ueno, M. Yamamoto, S. Yoshikawa and T. Tsukihara

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Structural studies of bacterial Lon ATP-dependent proteases

R. Duman and J. Löwe

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Structure determination complicated by tetragonal pseudosymmetry

S. Barden and H. Niemann

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Low-energy SAD experiments performed at the Photon Factory BL-1A

N. Matsugaki, Y. Yamada, L. M. G. Chavas, M. Hiraki, M. Kawasaki, R. Kato, N. Igarashi and S. Wakatsuki

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Coordinated ligand effects in the substitution kinetics of [Re(CO)₃]⁺ complexes

M. Schutte, H. G. Visser and A. Roodt

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Enaminoketones: influencing Rh(I) dicarbonyl complexes with halogen substituents

G. J. S. Venter, G. Steyl and A. Roodt

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Measuring selectivity in host-guest systems

L. R. Nassimbeni, N. Bathori and A. Jacobs

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Dinuclear gadolinium(III) complexes constructed by monocarboxylate ligands

L. Cañadillas-Delgado, W. Rodriguez-DeLeón, C. Martinez-Benito, P. Díaz-Gallifa, M. Déniz, J. Pasán, O. Fabelo and C. Ruiz-Pérez

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Telling 'twin molecules' apart in the solid state world: charge density approach

Y. V. Nelyubina, M. Yu. Antipin and K. A. Lyssenko

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Looking at nanoscale properties in macro-systems with X-ray diffraction imaging

A. Nikulin, D. Pelliccia and B. Muddle

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Can heats of sublimation and melting points of organic crystals be predicted?

J. Kendrick, F. J. J. Leusen, M. B. Hursthouse and Y. Ding

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An entire class of new compounds forming polar crystals

R. Centore and M. Jazbinsek

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New coordination polymers with embedded molecular recognition functionality

M. J. Hardie, C. Carruthers, J. J. Henkelis, M. A. Little, T. K. Ronson and C. J. Sumby

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Kinetic assembly of porous coordination networks and ab initio powder structure determination

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Structure and gas adsorption study on metal organic frameworks

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Photo-responsive pores of porous coordination polymers

H. Sato, R. Matsuda and S. Kitagawa

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Pressure-induced magnetic switching in molecular framework materials

G. J. Halder, K. W. Chapman, J. A. Schlueter, J. L. Manson and P. J. Chupas

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The crystal structure of Ziegler-Natta catalyst supports

G. Cruciani, F. Malizia and A. Fait

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Influence of a robust supramolecular synthon on structure-property relationships in ammonium carboxylates

S. A. Bourne and A. Lemmerer

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Predictive approach of new bismuth oxo-phosphates

D. Endara, M. Huvé, M. Colmont and O. Mentré

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Changing solid-state reaction stereochemistry: heavy-atom co-crystal method

R. Kuroda and R. Sekiya

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Structure and optical properties of natural low-dimensional semiconductors

D. G. Billing, R. S. Black and R. Erasmus

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Structural diversity in layered organic materials through templating co-crystallisation

L. H. Thomas, B. Boyle, A. A. Kallay, C. Wales and C. C. Wilson

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Ionic co-crystals of active pharmaceutical ingredients and their applications in the pharmaceutical industry

G. I. Lampronti, L. Maini, A. Turrina, D. Capucci, F. Grepioni, D. Braga, C. Cuocci, M. R. Chierotti, R. Gobetto and U. J. Griesser

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Solvent induced polymorphism and pseudopolymorphism among fullerene C₆₀ organic adducts

A. Gubaidullin and A. Saifina

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Entropies of polymorphic crystals from diffraction data

A. O. Madsen, N. Wahlberg, P. K. Ciochon and S. Larsen

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Magneto-structural transformations in coordination polymers upon gas sorption

G. M. Espallargas, M. Giménez-Marqués and E. Coronado

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Synthon competition in new pharmaceutical forms: how crystal structure affects properties

M. T. Duarte, V. André, F. Grepioni, N. Rodriguez-Hornedo and C. Maheshwari

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Recognition of weak interactions in porous supramolecular architectures

S. Bracco, A. Comotti, M. Beretta, G. Distefano and P. Sozzani

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Guest tunable structure and magnetism in a porous coordination polymer followed by parallel in situ single crystal and powder diffraction

S. Neville, K. Murray, C. Kepert, G. Halder and G. H. Chapman

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Structural systematics and conformational analyses of a 3×3 isomer grid and three chlorinated relatives

J. F. Gallagher and P. Mocilac

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Reactivity of tetra(3-pyridyl)porphyrin in crystal engineering

S. Lipstman and I. Goldberg

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Synthesis and characterization of pharmaceutical cocrystals from polymorphic constituents

H. Abourahma and D. Cocuzza

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'Organic' fluorine dictates the molecular conformation and packing

A. G. Dikundwar and T. N. Guru Row

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Structural studies of selected photochromic compounds

H. E. Mason, H. A. Sparkes, J. A. K. Howard and A. E. Goeta

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Structure and properties of o-carboranylalcohols pyridines metal complexes

F. Di Salvo, J. G. Planas, C. Viñas, F. Teixidor, M. E. Light and M. B. Hursthouse

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Crystallographic study of labile systems: cobalt and Lawsone complexes

M. A. Ribeiro, H. O. Stumpf, M. Lanznaster and C. B. Pinheiro

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Structure and selective gas adsorption study on POM-based ionic salts

C. Dey and R. Banerjee

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Structural influence of aromatics as templates or SDAs in MOFs crystallization

M. C. Bernini, E. V. Brusau, G. E. Narda, N. Snejko, E. Gutierrez-Puebla and M. Angeles

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Organic-inorganic hybrids assembled from lanthanide and 1,4-phenylenebis(phosphonate)

Z. Amghouz, S. García-Granda, J. R. García, A. Clearfield and R. Valiente

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Novel three-dimensional fluorinated MOFs: structure, topology and magnetic properties

M. A. Monge, M. C. Bernini, A. E. Platero-Prats, N. Snejko, E. Gutierrez-Puebla, A. Labrador, J. Romero and R. Sáez

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Lanthanide-organic frameworks of bis-Gd complexes: composed by carbonate ions spacers

Y. Diskin-Posner, C. Gunanathan and D. Milstein

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Synthesis and crystal structure of a two-dimensional di-aqua pyromellitato strontium(II) complex: [Sr₂{(OOC)₂-C₆H₂-(COOH)₂}₂(H₂O)₂]_n

F. Balegroune, A. Hammouche, A. Guehria-Laïdoudi, S. Dahaoui and C. Lecomte

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Synthesis and structural study at 100 K of a new double metal oxalate Cs₂Cr (C₂O₄)₂(H₂O)₄

M. Hamadène, H. Kherfi, A. Guehria-Laïdoudi, S. Dahaoui and C. Lecomte

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The crystal structure-physicochemical property relationship of sitafloxacin

T. Suzuki and K. Terada

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Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4′-bipyridine–4-hydroxybenzoic acid structural landscape

A. Mukherjee and G. R. Desiraju

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Compounds of organic molecules and metal halides: structures and properties

M. Rademeyer, D. C. Liles, G. Overbeek and S. Coetzee

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Tautomeric polymorphism in triclabendazole

S. Tothadi, R. K. R. Jetti, B. R. Bhogala, A. R. Gorantla, T. S. Thakur and G. R. Desiraju

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Divalent manganese in alkaline halides mixtures

B. L. Mariscal, A. J. Hernández, G. E. Camarillo, J. C. Flores, S. H. Murrieta, S. G. Aguilar and G. I. Camarillo

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P,O; P,S and P,(NHC) ferrocenyl ligands for asymmetric catalysis

J.-C. Daran, A. Labande, C. Audin, E. Deydier, R. Poli and E. Manoury

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Magnetic bistability in the salt of organic radical anion-tetrachlorosemiquinone

B. Kojić-Prodić, K. Molčanov, D. Babić, D. Pajić, N. Novosel and K. Zadro

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Crystal engineering of calix[4]arenes. Chemical straightening of guest channels

P. Bombicz, C. Fischer, G. Lin, W. Seichter and E. Weber

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Two reversible thermochromic phase transitions of copper(II) diiminate

V. N. Khrustalev, S. O. Kostenko, M. I. Buzin, M. A. Kurykin and M. Yu. Antipin

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The crystal structure of a short alkyl chain pyridine-based bisurea compound

E. Marfo-Owusu, K. Yabuuchi and T. Kato

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A synthon-based approach to generating a solid crystalline form of propofol

S. C. McKellar, A. R. Kennedy and A. J. Florence

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Towards charge-density analysis of high-pressure molecular crystal structures

F. P. A. Fabbiani, B. Dittrich, C. R. Pulham and J. E. Warren

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Ternary inclusion compounds based on the gossypol-chloroform host matrix – stabilizing effect of the aromatic guest component

M. Gdaniec and B. Wicher

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Exploring the assembly possibilities of calix[4]dihydroquinone

L. Erra, C. Tedesco, C. Gaeta, G. Vaughan and P. Neri

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Ultra high porosity, multi-variant MOFs and conducting porous materials

F. Gándara and O. M. Yaghi

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A series of rarely observed all helical three-dimensional coordination polymers derived from various chiral amino acids: effect of amino acid side chain and their unique ability of separating cations and anions

S. Banerjee and P. Dastidar

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Photonic materials: how protonation influence structure and properties

T. V. Timofeeva, A. Fonari, T. L. Kinnibrugh, E. S. Leonova, I. L. Odinets and M. Yu. Antipin

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Two Co(III) dioximates with unprecedented V-shape ligands in apical positions

P. Bourosh, I. Bulhac, M. Cocu, E. Coropceanu, O. Ciobanica, V. Gutium and J. Lipkowski

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Influence of ligand substituent on molecular architecture; very large changes in structural assembly and coordination geometry

H. R. Khavasi, M. Mehdizadeh and M. A. Fard

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New supramolecular dimer and two-dimensional supramolecular layers formation through hydrogen bonds

J. Moncol, M. Stolickova, J. Medvecka and D. Valigura

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Synthesis, crystal structure and thermal behavior of M(C₁₆H₁₆N₃)₂(VO₃)₄ compounds

E. S. Larrea, J. L. Pizarro, J. L. Mesa, T. Rojo and M. I. Arriortua

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Catalytic behaviour of two structurally related vanadyl arsenates

M. I. Arriortua, T. Berrocal, E. S. Larrea and M. Iglesias

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Reversible phase transformation of a pyridyl ketone based coordination polymer

M. K. Urtiaga, A. Calderón-Casado, G. Barandika, B. Bazán and M. I. Arriortua

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Structural transformation of the porous MOF [Ni₂(bipy)_1.5(PDC)₂(H₂O)₂]·3.5H₂O

B. Bazán, A. Calderón-Casado, G. Barandika, M. K. Urtiaga, O. Vallcorba, J. Rius, C. Miravitlles and M. I. Arriortua

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The many facets of tartaric acid its diesters and diamides

U. Rychlewska and A. Plutecka

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Crystal engineering in mercury(II) coordination compounds based on pyrazine carboxamide ligand

A. A. Tehrani and H. R. Khavasi

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Synthesis and crystal structure of Ho(phen)₂(NO₃)₃

T. Hajiashrafi, A. N. Kharat, A. R. Ghanbarpour and H. R. Khavasi

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X-ray diffraction and photophysical studies on new platinum complexes

S. Fuertes and P. R. Raithby

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Gel-based dimensionality control in multifunctional coordination polymers

F. J. M. Casado, D. Choquesillo-Lazarte and J. M. García-Ruiz

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New iron(III) two-step spin crossover compounds

I. C. Santos, B. J. C. Vieira, L. C. J. Pereira and V. Gama

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Solid-state synthesis and structure solution of chiral co-crystals and salts

L. Chelazzi, F. Grepioni and D. Braga

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Single-crystal to single-crystal transformations of a flexible porous Zn(II) framework

I. Grobler, V. J. Smith, P. Bhatt and L. J. Barbour

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Uncovering the action behind negative thermal expansion in MOF-5

N. Lock, M. Christensen, Y. Wu, M. K. Thomsen, R. Piltz, G. J. McIntyre, V. Peterson, C. J. Kepert and B. B. Iversen

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Structural analysis of metal organic frameworks with perovskite-like structure

B. P. Doldán, M. Sánchez-Andújar, S. Castro-García and M. A. Señarís-Rodríguez

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Novel amidrazone derivative and its Cu(II) complex: crystal structure and antitumor activity

L. Mazur, B. Modzelewska-Banachiewicz, R. Bursa and M. Zimecki

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Molecular imprinting effect of the guest in β-cyclodextrin inclusion complexes

I. M. Mavridis, S. D. Chatziefthimiou and K. Yannakopoulou

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Supramolecular study of µ-oxo iron(III) porphyrin malaria pigment model compounds

S. A. Kohnhorst and K. J. Haller

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Crystal structures of a series of bisazomethine dyes derived from 4-(dimethylamino)-2-alkoxybenzaldehydes

B.-S. Kim, T. Jindo, R. Eto, Y. Shinohara, Y.-A. Son, S.-H. Kim and S. Matsumoto

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Crystallization of mixed ligand complexes of M(SO₄) with picolinic acid and carboxylic acids (M = Mn, Zn)

W. Somphon and K. J. Haller

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Inverse opal-like systems: correlating mesoscale structure and magnetic properties

N. A. Grigoryeva, A. A. Mistonov, H. Eckerlebe and S. V. Grigoriev

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A supramolecular approach to the analysis of the crystal structures of some 1-alkyl-3-methyl-4-acyl-5-pyrazolone derivatives

P. I. Hidalgo, J. Belmar, L. Ortiz, C. A. Jiménez, J. Pasán and C. Ruiz-Pérez

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Amide to amide interactions: from strong to weak hydrogen bonds in bis(quinoxaline-carboxamide) functionality

C. A. Jiménez, N. Parra, P. I. Hidalgo, J. Belmar, J. Pasán and C. Ruiz-Pérez

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The inclusion of substituted acetophenones in cyclodextrins: an X-ray diffraction and solution NMR spectroscopy study

L. E. Trollope, M. R. Caira, S. A. Bourne and M. Bogdan

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The influence of solidification direction on the CET in Zn-base alloys

A. E. Ares, M. V. Okseniuk, E. M. Agaliotis, C. E. Schvezov and S. F. Gueijman

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Synthesis, characterization, structural analysis and biological activities of new transition metal complexes

S. Ghammamy, S. Sedaghat and S. A. S. Sadjadi

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Two new hydroxybenzophenone complexes of copper(II)

I. M. L. Rosa and A. C. Doriguetto

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Discrete and polymeric metal-organic systems based on the methanetriacetic acid

C. Martinez-Benito, P. Diaz-Gallifa, A. B. Lago, A. C. Arias, I. Hernández-Rodríguez, J. Pasán and C. Ruiz-Pérez

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Creating nothing out of something: thermolabile groups in metal–organic frameworks (MOFs)

S. G. Telfer, R. K. Deshpande and D. J. Lun

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The structural chemistry of nano-crystalline ferrihydrite

W. Xu, J. B. Parise and R. Harrington

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Modular assembly of porous organic materials

S. Y. Chong, J. T. A. Jones, T. Hasell, M. Schmidtmann, J. Bacsa and A. I. Cooper

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Zeolitic tetrazolate framework (ZTF) with high-capacity storage of carbon dioxide

T. Panda, P. Pachfule and R. Banerjee

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Dynamic behavior in a dryness sensitive 3d-4f metal–organic framework

O. Fabelo, P. Díaz-Gallifa, L. Cañadillas-Delgado, J. Pasán, C. Martinez-Benito, M. Déniz, D. Lozano, A. Labrador and C. Ruiz-Pérez

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Humidity- and pressure-induced hydration of K,Na-rich laumontite

S. V. Rashchenko, Y. V. Seryotkin and V. V. Bakakin

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Zero-dimensional coordination compounds incorporating imidazole based ligands

M. du Plessis and L. Barbour

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Short and long-range structure of ZnO:Co diluted magnetic semiconductor

P. P. Neves, H. B. Carvalho, M. Mir, M. P. F. de Godoy, V. A. Chitta, W. B. Ferraz, R. W. D. Pais, M. A. Boselli and A. C. S. Sabioni

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Organic–inorganic Mn(II)-cyanate compound with five dispositions of bpa ligand

R. Cortés, N. De la Pinta, G. Madariaga, F. Mautner and L. Fidalgo

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Thermal behaviour (HT and LT) in minerals of the cryptomelane group

M. Pasero, C. Biagioni, L. Bindi and C. Capalbo

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Metal-organic frameworks as ion-exchangers

P. Silva, A. A. Valente, J. Rocha and F. A. A. Paz

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One-dimensional systems based on pyrazine-2,5-dicarboxylate linkers and [Mn(phen)]²⁺ nodes

M. Lanchas, G. Beobide, O. Castillo, J. Cepeda, A. Luque, S. Pérez-Yáñez, P. Román, J. Thomas-Gipson and D. Vallejo-Sánchez

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Three-dimensional copper-adeninate complexes with microchannels tailored by aliphatic acids

S. Pérez-Yáñez, G. Beobide, O. Castillo, J. Cepeda, M. Lanchas, A. Luque, P. Román, J. Thomas-Gipson and D. Vallejo-Sánchez

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Synthesis and characterization of the K_(1−x)Rb_xCuFe(PO₄)₂ (0 ≤ x ≤ 1) phosphates

A. Badri, M. Hidouri, M. L. López, C. Pico, A. Wattiaux and M. B. Amara

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Structure and crystallochemistry of four sepiolites from Madrid

A. I. Ruiz, N. González and J. Cuevas

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Investigations of barium and strontium dicarboxylates – new metaloorganic compounds

M. Grzesiak, W. Nitek, A. Rafalska-Łasocha and W. Łasocha

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Crystal structure of new alkaline diphosphates in the A₂MnP₂O₇ family

S. Péchev, S. Kaoua, S. Krimi, P. Gravereau, J.-P. Chaminade and A. El Jazouli

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Three-dimensional lanthanide MOF based on a linear ditopic dicarboxylate

A. C. Arias, P. Diaz-Gallifa, C. Martínez-Benito, I. Hernandez-Rodriguez, J. Pasán and C. Ruiz-Perez

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Formation of LC-phase in concentrated solutions of monocarboxylic acids by SANS

V. I. Petrenko, M. V. Avdeev, V. M. Garamus, V. L. Aksenov, L. Rosta and L. A. Bulavin

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Nanostructures in a supramolecular side-chain liquid crystalline block copolymer

W.-T. Chuang, Y.-C. Huang, U.-S. Jeng and H.-S. Sheu

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Virus matrix protein M1: SAXS data analysis and modeling

E. V. Shtykova, L. A. Baratova and D. I. Svergun

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SAXS study of phase separation process in the SiO₂-SnO₂ nanostructured materials

R. Guinebretière, M. Dumoulin, E. Thune and C. Rochas

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Block copolymer-mediated gold nanoparticles: small-angle scattering studies

D. Ray and V. K. Aswal

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An examination of the structure of Fe₃O₄ using reverse Monte Carlo refinements

C. A. Young, A. L. Goodwin, D. A. Keen, M. G. Tucker and M. T. Dove

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Studying the three-dimensional structure of proteins in solution by small-angle X-ray scattering

H. Santner, C. Moitzi and P. Kotnik

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New GI-SAXS capabilities for the home-lab

P. Kotnik, H. Santner and H. Schnablegger

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Non-crosslinking aggregation of DNA-functionalized nanoparticles

M. Fujita and M. Maeda

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Further development of Brillouin zone database on the Bilbao Crystallographic Server

G. de la Flor, D. Orobengoa, E. S. Tasci, M. I. Aroyo and J. M. Perez-Mato

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The wwPDB common tool for deposition and annotation

M. Quesada, J. Westbrook, T. Oldfield, J. Young, J. Swaminathan, Z. Feng, S. Velankar, T. Matsuura, E. Ulrich, S. Madding, G. J. Kleywegt, J. L. Markley, H. Nakamura and H. M. Berman

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An overview of solvent use and solvate formation in the CSD

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A new interface to the Cambridge Structural Database (CSD) in CrysAlisPro

F. J. White, Z. Gál, A. Griffin, T. Skarzynski, M. Meyer, G. Prochniak, P. A. Wood and I. R. Thomas

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Computer-readable database for magnetic space groups

H. T. Stokes and B. J. Campbell

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Borinic complexes – towards applications in functional materials

G. Wesela-Bauman, P. Kurach, S. Luliński, J. Serwatowski and K. Woźniak

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Microhardness and dopant concentration in GaSe:In and GaSe:S crystals

K. Kokh, Y. Andreev and A. Kokh

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Effects accompanying GaN substrate misorientation in growth of InGaN and AlGaN layers

M. Leszczynski, M. Krysko, R. Czernecki, M. Sarzynski, P. Prystawko and J. Domagla

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Stability and thermal expansion of InN: an X-ray diffraction study

W. Paszkowicz, R. Minikayev, P. Piszora, P. A. Dłużewski, D. Trots, C. Bähtz and S. Podsiadlo

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A curious case of hexahydroxytriphenylene

J. Adamson, A. L. Thompson and A. L. Goodwin

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Growth, composition, structure and optical properties of ZnO crystals

I. A. Kaurova, G. M. Kuz'micheva and V. B. Rybakov

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Defect determination in epitaxial a-plane GaN layers

M. Barchuk, V. Holý, S. Layarev and S. Bauer

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High resolution X-ray diffraction analysis of AlGaSb/GaSb

A. Méndez-López, J. Contreras-Rascon, J. Diaz-Reyes, J. Martinez-Juarez and M. Galvan-Arellano

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Growth and characterization of p-type ZnO films by arsenic thermal diffusion

J. A. Andraca-Adame, O. García-Serrano, M. Vázquez-Agustín, G. Romero-Paredes, J. J. Martínez and R. Peña-Sierra

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Physical properties of ZnS thin films grown on GaAs by RF magnetron sputtering

E. Flores-Mena, J. Díaz-Reyes, J. Martínez-Juárez, A. Méndez-López, M. Gutiérrez-Arias, M. Morín-Castillo and M. Galván-Arellano

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Growth of transition metal doped AlN single crystal and its stimulated emission

W. Wang, L. Jiang, S. Zuo, S. Wang, H. Li, K. Zhu, J. Wang and X. Chen

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Trapping novel allosteric regulatory pockets on herpes virus protease

A. Baharuddin, G. M. Lee, T. Shahian, J. E. Gable and C. S. Craik

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Structural analysis of bacteriophage-encoded peptidoglycan hydrolase domain KMV36C

K. Van Hecke, L. Vanpraet, Y. Briers, M. Walmagh, D. D. Rodríguez, I. Usón, R. Lavigne and L. Van Meervelt

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Structure of the membrane-piercing phage tail spike

P. G. Leiman, C. Browning and M. Shneider

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Structure of influenza B nucleoprotein and its functional characterization

P.-C. Shaw, A.K.-L. Ng, M.K.-H. Lam and J.-H. Wang

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Packing disorder: structure of soluble domains of hepatitis A virus 2B protein

L. Vives-Adrián, D. Garriga, M. Buxaderas, P. Pereira, S. Ribeiro and N. Verdaguer

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Fab′-induced folding of intrinsically disordered HIV-1 Tat

J. Serrière, R. Haser, P. Gouet and C. Guillon

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Structure and RNA recognition in recombinant STNV capsids

S. E. V. Phillips, S. W. Lane, C. A. Dennis, C. L. Lane, C. H. Trinh, P. J. Rizkallah, D. H. J. Bunka, E. C. Dykeman, R. Ford, A. Barker, R. Twarock and P. G. Stockley

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Structure of PB1-PB2 subunit interface of inflenza A virus RNA polymerase

K. Sugiyama, E. Obayashi, A. Kawaguchi, Y. Suzuki, J. R. H. Tame, K. Nagata and S.-Y. Park

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Crystal structure of the viroplasm matrix protein P9-1 of Rice black streaked dwarf virus

F. Akita, A. Higashiura, T. Shimizu, Y. Pu, M. Suzuki, T. Uehara-Ichiki, T. Sasaya, T. Tsukihara, A. Nakagawa and T. Omura

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Crystallization and preliminary X-ray diffraction analysis of the RNA-dependent RNA polymerase of Thosea asigna virus

D. S. Ferrero, J. F. Rodríguez and N. Verdaguer

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The structural basis for the essential PA-PB1 subunit interaction in influenza RNA polymerase

H. Yoshida, E. Obayashi, A. Kawaguchi, K. Nagata, J. R. H. Tame and S.-Y. Park

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Crystal structure of measles virus hemagglutinin with its human receptor CD46

C. Santiago, T. Stehle and J. M. Casasnovas

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Studying interactions between vaccinia virus protein a46 and the cellular protein MyD88

S. Fedosyuk and T. Skern

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Reorganization of the shell protein during the maturation of bacteriophage T7

A. Ionel, J. A. Velázquez-Muriel, D. Luque, A. Cuervo, J. R. Caston, J. M. Valpuesta, J. Martín-Benito and J. L. Carrascosa

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Single crystal X-ray diffuse scattering from supramolecular assemblies

E. J. Chan and M. D. Hollingsworth

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Diffuse scattering study of aspirin forms (I) and (II)

T. R. Welberry, E. J. Chan, D. J. Goossens and A. P. Heerdegen

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α-'NaLuF₄': six-fold twinning with modulation and diffuse scattering

P. P. Das, K. W. Krämer, L. Palatinus, H.-B. Bürgi and A. Linden

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Short range order in ferroelectric triglycine sulphate

J. Hudspeth, D. Goossens, M. Gutmann and R. Welberry

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Diffuse scattering and superstructures in brownmillerites and related materials

H. Krüger, T. R. Welberry, R. L. Withers, G. J. D. Fitz and S. Stöber

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Hydrogen storage characteristics of melt spun Ti₄₅Zr₃₈Ni₁₇ nano-quasicrystalline alloys

M. A. Shaz, R. R. Shahi and O. N. Srivastava

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Diffuse scattering and phason modes in the Zn-Sc icosahedral quasicrystal

T. Yamada, H. Euchner, C. P. Gòmez, R. Tamura and M. de Boissieu

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Quantitative modeling of diffuse scattering from a relaxor ferroelectric

B. A. Frandsen, V. Vue, M. J. Gardner, K. D. Seppi and B. J. Campbell

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Framework defects in alumino-phosphate ALPO-5

B. J. Campbell, N. Maughan, D. G. Robertson and S. Norman

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Ab initio lattice dynamics and thermal diffuse scattering in CaTiSiO₅

M. J. Gutmann, K. Refson, M. V. Zimmermann, C. K. D. Stock, I. P. Swainson, H. A. Dabkowska and A. Dabkowski

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Structural study on Zr-based metallic glasses by anomalous X-ray scattering coupled with reverse Monte Carlo simulation

K. Sugiyama, T. Kawamata, T. Muto and Y. Waseda

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Kinetics of atomic ordering and diffuse scattering of X-rays within the nonstoichiometric quasi-binary (W,Ti)B₂ crystal

D. S. Leonov, V. A. Tatarenko, O. V. Sobol and Yu. A. Kunitsky

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Diffuse scattering study of γ-Pigment Red 170

R. Warshamanage, A. Linden, H.-B. Bürgi and D. Chernyshov

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Real structure of Sr_1−xBa_xSi₂O₂N₂:Eu²⁺ (0.5 < x < 0.8) phosphors by TEM and XRD

O. Oeckler, T. Rosenthal, M. Seibald and W. Schnick

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Water-mediated hierarchal structure in room temperature ionic liquids

H. Abe, M. Aono, Y. Imai, T. Takekiyo and Y. Yoshimura

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Interpretation and analysis of diffuse scattering using Monte Carlo simulation

D. J. Goossens, T. R. Welberry and A. P. Heerdegen

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Three-dimensional PDF analysis of diffuse scattering from manganese Prussian Blue analog

A. Simonov, T. Weber, W. Steurer and D. Chernyshov

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Modeling diffuse scattering on supercomputers with ZODS

M. Chodkiewicza, H.-B. Bürgi, T. Weber, V. Lynch and T. Michels-Clark

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The disordered and modulated crystal structure of the zeolite SSZ-57

T. Weber, C. Baerlocher, L. B. McCusker, L. Palatinus and S. I. Zones

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X-ray scattering as a tool for the study of finite size effects in polymers

A. Flores, C. Arribas, F. J. B. Calleja and F. Ania

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Modeling of X-ray diffuse scattering in Rb₂Li₄(SeO₄)₃·2H₂O

D. Komornicka, M. Wołcyrz and A. Pietraszko

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Mesomorphic phase in oriented poly(pentamethylene 2,6-naphthalate)

H. H. Song, T. C. Do, H.-J. Jeon and K. Tashiro

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Crystal structures of high-entropy alloys of high melting temperature

S. Maiti and W. Steurer

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Structural analysis of metal nano-particles prepared by leaching

R. Murao, K. Sugiyama, S. Kameoka and A.-P. Tsai

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Low-temperature plasticity of magnesium alloy AZ31 with different microstructure

V. V. Pustovalov, Y. Estrin, P. A. Zabrodin, I. S. Braude, T. V. Grigorova, N. V. Isaev, V. S. Fomenko and S. E. Shumilin

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Coordinated productive and unproductive substrate binding in the COX-2 homodimer

A. J. Vecchio and M. G. Malkowski

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The role of crystallography in chemical kinetics and industrial processes

H. G. Visser, A. Roodt and N. Cloete

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Structural properties of varies copper(II) catalysts for oxidation catalysts

T. J. Muller, G. Steyl and A. Roodt

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The mechanism of the formation reaction of biotinyl-CoA from biotin, ATP and CoA in BirA

M. Konno, R. Takasaka, Y. Kawaguchi-Murakami and Y. Miyamoto

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X-ray snapshots of HIV-1 protease catalysis and substrate recognition

A. Dasa, J. L. Ferrerb and M. V. Hosura

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Advances in transmission electron microscopy for catalysis

A. M. Molenbroek and S. Helveg

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Cooling rate- and temperature-dependence of the conformation of a mobile flap at the active site of urease

M. A. Warkentin, P. A. Karplus and R. E. Thorne

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Alternative mechanisms for translesion DNA synthesis

W. Yang, C. Biertuempfel, Y. Zhao, F. Wang and F. Hanaoka

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Effects of local structure on electrocatalytic behavior of doped RuO

V. Petrykin, M. Okube, K. Macounova and P. Krtil

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Implication to the catalytic process of hemeproteins

Y. Ohgo, D. Hashizume, K. Takahashi, H. Mori, S. Hayami, M. Fujiwara, S. Neya, Y. Namatame and M. Nakamura

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Cation order and magnetic structure of SbVO₄ catalyst

J. Hernández-Velasco, J. García-García and A. Landa-Cánovas

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H-bonding in clathrates bis-p-toluidine gossypol with DMFA and 1,4-dioxane

L. Izotova, A. Ibragimov, A. Haitbayev, S. Talipov and D. Dalimov

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New molecular conductors with iron bis(dicarbollide) anion – synthesis, crystal structure and electrical conductivity

O. Kazheva, O. Dyachenko, G. Alexandrov, I. Kosenko, I. Sivaev, V. Bregadze and V. Starodub

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Crystal structure of human tyrosylprotein sulfotransferase

Y. Kawaguchi, T. Teramoto, Y. Fujikawa, K. Kurogi, M. Soejima, R. Adachi, Y. Nakanishi, E. Mishiro-Sato, M.-C. Liu, Y. Sakakibara, M. Suiko, M. Kimura and Y. Kakuta

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Additional ligand in the Ru coordination sphere of Hoveyda-type catalysts. Part II

A. Pazio, A. Makal, A. Szadkowska, K. Grela and K. Woźniak

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Aluminium hydroxide molecular derivatives. Stabilization and structural characterization

M. T. Muñoz, Y. Kadir, M. E. G. Mosquera, T. Cuenca and C. Urbaneja

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Structural effects of amphiphilic dendritic organocatalysts in aldol reactions

C.-M. Lo and H.-F. Chow

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Potential Pt-complexes for catalytic water splitting

M. Parvez, T. L. Lohr and W. E. Piers

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XRD, SAXS and XANES studies of mesoporous zirconia-based materials

R. Bacani, T. S. Martins, D. G. Lamas, I. O. Fábregas, L. Andrini and M. C. A. Fantini

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Structure/activity relationships: pre-catalysts for alkene methoxycarbonylation

C. Arderne and C. W. Holzapfel

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Hydrothermal synthesis of three-dimensional mixed sulfate-succinate MOFs

R. F. D'Vries, N. Snejko, M. Iglesias, E. Gutiérrez-Puebla and M. A. Monge

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A rod packing Zn MOF: acid catalyst in multicomponent reaction (MCR) and topology

M. E. Medina, A. E. Platero, A. Monge, N. Snejko and E. Gutiérrez-Puebla

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Crystal structure of the CcbJ methyltransferase from Streptomyces caelestis

J. Bauer, G. Ondrovičová, V. Pevala, L. Najmanová, Z. Kameník, J. Janata and E. Kutejová

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One- and two-dimensional metal–organic polymer of Sc(III) with sufonate-carboxylate ligand

N. Snejko, R. F. D'Vries, E. Gutiérrez-Puebla and M. A. Monge

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Inhibition of MMP-1, 3, and 13 by same inhibitor – structure based design study

B. L. Barnett, M. Dunaway, L. Chen, T. Rydel, M. Natchus and F. Gu

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Understanding the phases of DNAN

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Regioselective deacetylation based on teicoplanin-complexed Orf2* crystal structure

H.-C. Chan and T.-L. Li

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Crystal structure of T-H protein complex of the glycine cleavage system

K. Okamura-Ikeda, H. Hosaka, N. Maita, K. Fujiwara, A. C. Yoshizawa, A. Nakagawa and H. Taniguchi

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Molybdenum oxide/bipyridine hybrid materials: synthesis, structure and catalytic studies

T. R. Amarante, M. Abrantes, M. M. Antunes, S. Gago, F. A. A. Paz, M. Pillinger, A. A. Valente and I. S. Gonçalves

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Structural and functional analysis of rRNA methyltransferase from Staphylococcus aureus

S. Kita, I. Tanaka, M. Yao and Y. Tanaka

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Structures of engineered phytases

R. Bott, C. Rife and M. Saldajeno

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Highlights from the Macromolecular X-ray Crystallography Facility at Pennsylvania State University (a) crystal structures of bacterial expansin in complex with cellohexoase and β-glucan (b) solution scattering and crystal structure of sorbitol dehydrogenase with a substrate (c) computation model of human Ron receptor with its juxta-membrane domain and (d) model of phospholipase a2 with procyanidins

N. Yennawar and H. Yennawar

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Study on crack of Yb:YAG laser crystal

X. Zhang and G. Zou

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Synthesis of ytterbium-doped yttrium aluminum garnet nanopowders by carbonate altogether precipitation methods

X. Zhang, G. Zou, C. Li and J. Liu

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Synthesis of Yb:GGG laser ceramic nanopowder

X. Zhang and J. Liu

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Structure and properties of Mo(II) complexes with dinitrogen bidentate ligands

M. J. Calhorda, M. V. Dias, M. Saraiva, M. Meireles, D. Bandarra, M. Lopes and V. Félix

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Crystal structure of bacterial citrate lyase

F. Forouhar, S. Lew, J. Seetharaman, R. Xiao, T. B. Acton, G. T. Montelione and J. F. Hunt

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Microstructure of synthetic Mg-Co cordierite studied by X-ray diffraction methods

J. M. Amigó, N. Montoya, F. J. Serrano, M. A. Kojdecki, M. M. Reventós, J. L. Pizarro and J. Alarcón

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In situ X-ray diffraction study on the decomposition kinetics in bearing steels

E. Jiménez-Melero, N. V. Dijk, R. Blondé and V. Honkimäki

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A multidisciplinary study of the resolution of hydratropic acid by ephedrine

M. A. Candel, S. L. Price and A. G. Jones

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Microstructure evolution in MgF₂ and ZnO doped LAS glass-ceramics

C.-H. Lee, Y.-H. Wu and K.-C. Hsu

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Evolution of the microstructure of bimetallic valves

P. Kodess, G. Teterin and B. Kodess

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Analytical methodology for the quantification of respirable crystalline silica (RCS) in occupational environments using a CIP 10-R sampler

M. P. Gómez-Tena, E. Zumaquero, M. J. Ibáñez, A. Escrig and E. Monfort

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An study of the evolution of the NSA fertilizers with humidity

J. Montejo-Bernardo, S. García-Granda and A. Fernández-González

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Crystalline structure identification by TEM with microdiffraction, PED and CBED

L. Patout, J.-S. Merot, G. Pavia, G. Benner and H. Niebel

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The study of wide-angle incidence X-ray nano-wires using crystal asymmetric surface diffraction

H.-Y. Chen, C.-C. Lin, Y.-S. Fang, Y.-W. Tsai, C.-H. Chu and S.-L. Chang

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Implementation of a direct approach to coherent diffractive imaging

A. J. Morgan, A. J. D'Alfonso, A. V. Martin, A. I. Bishop and L. J. Allen

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Observation of topography using resonant scattering and its SEM images

R. Negishi, T. Fukamachi, K. Hirano, Y. Kanematsu, K. Hirano and T. Kawamura

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Conceptual design of the coherent X-ray scattering beamline at the Taiwan Photon Source

Y.-S. Huang, C.-Y. Huang, C.-H. Chang, W.-Y. Peng, U.-S. Jeng, C.-Y. Mou, T.-L. Lin and H.-L. Chen

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Real-structure anisotropy in GaMnAs layers

Z. Šourek, M. Kopecký, J. Kub, J. Fábry, V. Novák and M. Cukr

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Coherent Bragg imaging of strained semi-conductor nanostructures

V. Favre-Nicolin, F. Mastropietro and J. Eymery

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Bulk dislocation core dissociation probed by coherent X rays in silicon

S. Ravy, V. Jacques, D. Le Bolloc'h, E. Pinsolle, M. Sauvage-Simkin and F. Livet

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Predicting the behaviour of lone-pair electrons

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Revealing electron conjugation through an observable

C. Gatti, E. Monza, L. L. Presti and G. Saleh

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Descriptors of charge density for estimating the energy of coordinate bonds

A. O. Borissova, M. Yu. Antipin and K. A. Lyssenko

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The atomic energy as the descriptor for the stereoelectronic interactions

I. S. Bushmarinov, K. A. Lyssenko and M. Yu. Antipin

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Electron-density topology and interaction energy in hydrogen-bonded systems

I. Mata, E. Molins, E. Espinosa and I. Alkorta

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TOPAZ – neutrons going smaller

H. F. Clausen, C. Hoffmann, X. Wang, M. Frost, B. Chakoumakos, M. A. Spackman and B. B. Iversen

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Comparative study of the electron distribution in 3d-orbitals

J. Kožíšek, M. Breza, D. Végh, K. Waynant and J. D. White

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Electron-density studies of magnetic di-nuclear complexes

N. Claiser, M. Deutsch, J.-M. Gillet, C. Lecomte, H. Sakiyama, K. Tone, N. Mattoussi, D. Luneau and M. Souhassou

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Charge density analysis of K₂SO₄

M. S. Schmøkel, S. Cenedese, D. Stalke and B. B. Iversen

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Charge density of a Zn containing coordination polymer

M. R. V. Jørgensen, S. Cenedese, H. F. Clausen, J. Overgaard, C. Gatti, Y.-S. Chen and B. B. Iversen

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Hetero and homo-halogen intermolecular interactions via charge density analysis

V. R. Hathwar and T. N. Guru Row

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Exprimental and theoretical charge density studies and topological analysis of 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitryle: case of antiparallel cyano-cyano interaction

A. Paul, A. Kubas, C. Jelsch, M. Kubicki and C. Lecomte

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Observation of a conserved 'selenium bond synthon' involving Se⋯O interaction

S. P. Thomas and T. N. Guru Row

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Non-covalent interactions descriptor using experimental electron densities

G. Saleh, C. Gatti, L. L. Presti and J. Contreras-Garcia

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Structural and charge density studies of organic-inorganic [ArBF₃]⁻X⁺ compounds

R. Kamiński, M. Dąbrowski, K. Durka, J. Serwatowski and K. Woźniak

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Electronic structure and bonding interactions in FeS₂ and FeP₂

S. Cenedese, C. Gatti and B. B. Iversen

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Structural analysis and DFT calculations of (Z)-4-methyl-N-(2-((2-oxonaphthalen-1(2H)-ylidene)-methylamino)ethyl)benzenesulfonaide

A. Erdönmez, G. Alpaslan, M. Macit and O. Büyükgüngör

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Electronic properties of noncovalent interactions in [Co(fam)en]Cl complex

S. B. Novaković, G. A. Bogdanović, B. M. Francuski, D. Miodragović and B. Fraisse

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The original crystal structures of hybrid materials and the influences of hydrogen bonds

F. Allouche and T. Benlecheb

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A charge density investigation into an Rh⋯C-C sigma interaction

H. A. Sparkes, J. A. K. Howard, S. K. Brayshaw and A. S. Weller

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Charge density measurements of the anomeric effect in disaccharides

E. D. Stevens, M. K. Dowd and A. D. French

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A charge density study of arylacetylene substituted cytochrome P450 inhibitors

C. Stevens, N. Zhu and E. Stevens

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Conformation of half-sandwich Mn(I) O-alkyl and O-aryl Fischer carbene complexes: a joined experimental-theoretical study

N. Lugan, I. Fernández, D. A. Valyaev, R. Brousses, M. A. Sierra and N. A. Ustynyuk

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Electronic structure of bis{bis(methoxycarbimido)aminato}copper(II) complex

M. Fronc, P. Herich and J. Kožíšek

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First principle calculation of perovskite type oxide LaMO₃ (M = Cr, Mn, Fe, Co, Ni, Cu): correlation of electron density at the M-O bond with structure

K. Omoto and M. Yashima

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Evaluating electron delocalization: the need for aromaticity descriptors

J. Hey, D. Leusser, D. Kratzert, C. Kling and D. Stalke

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Total wavefunction refinement and charge density analysis of Z′ > 1 molecular crystals and cocrystal structures: comparison with neutron structural data

D. Jayatilaka, S. Capelli, S. Grabowsky, M. A. Spackman and H.-B. Buergi

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Topological partition of the crystal elastic constants

A. Otero-de-la-Roza and V. Luaña

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New gapless dispersion surface instead of usual erroneous gappy dispersion one

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Crystal growth of Friedel's salt originated from pozzolan and Portland cement

L. Trusilewicz, R. Talero, A. Delgado, C. Pedrajas and R. Lannegrand

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FeSe-based superconductors (11, 122-type): phase diagram, crystal growth and characterization

E. Pomjakushina, A. Krzton-Maziopa, K. Conder and V. Pomjakushin

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Phase equilibria and β-BaB₂O₄ crystal growth in the Ba, Na, B // O, F system

T. Bekker, A. Kokh and P. Fedorov

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Transition metal sheet-like systems based on diacetic ligands

A. D. Lozano-Gorrín, P. Díaz-Gallifa, O. Fabelo, J. Pasán and C. Ruiz-Pérez

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Peculiarities of crystal growth and morphology of carbonate-synthetic diamonds

N. Solopova, A. Spivak and Y. Litvin

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Synchrotron topography of (Nb,Yb):RbTiOPO₄ single crystals and related materials

J. J. Carvajal, B. Ragothamachar, V. Sarkar, X. Mateos, M. Dudley, F. Díaz and M. Aguiló

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The CrystalHarp – an advanced high-throughput capillary plate for protein crystallization

M. Kurz, B. Blattmann, C. Briand, P. Reardon, A. Käch and M. G. Grütter

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A three-polymorph system with k2- and t2-types of phase transformations

I. A. Guzei and E. M. Gunn

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Epitaxial growth of anglesite (PbSO₄) on anhydrite (CaSO₄) cleavage surfaces

L. Fernández-Díaz, J. M. Sánchez-Migallón, J. M. Astilleros and A. Jiménez

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In situ measurement and characterization of crystal growth by X-ray diffraction

D. Beckers and P. Munk

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Study of nanostructure and morphology of deflazacort

S. L. Cuffini, A. Paulino, G. Rauber, C. E. M. de Campos and S. G. Cardoso

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Morphological study of Czochralski-grown lanthanide orthovanadate single crystals and implications on the mechanism of spiral formation

H. Cong, H. Zhang and J. Wang

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Mechanism of formation of Na_xV₂O₅ bronze crystals grown from the melt by Czochralski method

L. I. Ivleva, V. V. Osiko, V. S. Petrov, A. V. Nikolaevsky and E. E. Dunaeva

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High quality protein crystal growth under microgravity in JAXA PCG project

M. Sato, H. Tanaka, K. Inaka, S. Sano, M. Masaki, S. Shinozaki, S. Takahashi, E. Hirota, B. Yan, M. Shirakawa and Y. Yoshimur

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Pure NaNO₃ crystal growth

R. B. Vilau, M. T. C. Pallas, M. A. Cuevas-Diarte, E. Costa, M. Bruno and D. Aquilano

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The effect of foreign particles on the interface shape during solidification of crystals

E. M. Agaliotis, M. R. Rosenberger, A. E. Ares and C. E. Schvezov

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Nucleation of gypsum at low supersaturations

I. Rodríguez-Ruiz, A. E. S. Van Driessche, S. Veesler and J. M. García-Ruiz

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The growth morphology of gypsum crystals: an experimental study

M. Ossorio, A. E. S. Van Driessche and J. M. García-Ruiz

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Crystallization of acetaminophen on a polymer surface

N. Wahlberg and A. O. Madsen

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In situ study of temperature effects on protein crystallization

T. M. Francisco, P. L. de Miranda Barbosa and C. B. Pinheiro

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Growth kinetics of the {100} face of potassium chloride crystals

D. Bogdashkina, D. Vorontsov and E. Petrova

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Crystal growth using low temperature gradient sublimation

J. Karpinska, A. Erxleben and P. McArdle

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Effect of cooling rate on thermal crystallization of energetic materials

L. Kalontarov, G. Yagudayev, Y. Evri and S. Dvir

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Growth decorations on facets of Al-Cu-Fe single quasicrystals

M. Surowiec, W. Bogdanowicz, P. Zamrzycki, B. Formanek and M. Sozańska

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Uncoupling nucleation and protein crystal growth using microfluidic chips

P. Rigolet, M. Lounaci and Y. Chen

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Cubic growth of natural diamond

M. Moore, E. Fritsch, J. Milledge, E. Pascoud and B. Rondeau

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Calculating the interaction energy between one-dimensional hydrogen bond motifs using semi-empirical methods

N. Walshe and P. McArdle

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Morphology of synthetic tourmaline crystals

T. V. Setkova, Yu. B. Shapovalov, V. S. Balitsky and O. S. Vereshchagin

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Synthesis of 13C-diamonds in CaCO₃-C system

A. Spivak, Y. Litvin, S. Ovsyannikov and L. Dubrovinsky

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Growth and morphology of eulytite crystals synthesized in hydrothermal solutions

E. A. Marina, A. A. Marin, V. S. Balitsky and T. M. Bublikova

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Conformational polymorphism in the crystal structure of HgBr₂ adducts of dppf

A. Bakhoda and A. N. Kharat

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Deposit of ZnO films by SS-CVD to atmospheric pressure

M. Pacio, G. Escalante, H. Juárez, G. García, T. Díaz, E. Rosendo and M. Rodríguez

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Structural characterization of a new series of (Gd,R)-cuprate. R = rare earth

A.-M. Cintli, E. Chavira and L. Bucio

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Synthesis and structural characterization on RESrMnO₃ (RE = rare earth) system

M. A. Juárez-Rosete, E. Chavira and L. Bucio

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Crystallization in lipidic cubic phase. The impact of additives on phase behaviour

J. Preu, Y. Thielmann and H. Michel

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Crystal growth and characterization of 4-(dimethylamino)benzaldehyde doped TGS crystals

S. M. Dharmaprakash and C. Rai

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Generation of high quality crystal surfaces of small soft organic crystals

B. Dicke, D. Goeries, A. K. Mottakin, S. Roth, E. Weckert and A. Meents

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Compositional distribution of isomorphic crystals during spontaneous crystallization

L. Kryuchkova, M. Sinai and A. Glikin

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A comparison towards counter-diffusion and sitting drop-vapor diffusion technique in improving resolution data of a novel organic solvent tolerant lipase

M. S. M. Ali, R. N. Z. R. A. Rahman, M. S. Khusaini, A. L. T. Chor and A. B. Salleh

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A component of the xanthomonadaceae T4SS combines a VirB7 motif with a N0 domain

D. P. Souza, M. O. Andrade, C. E. Alvarez-Martinez, G. M. Arantes, C. S. Farah and R. K. Salinas

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The structure of a bacterial esterase essential for NO-stress response

N. Chen, R. M. Couñago, N. Chen, K. Djoko, A. McEwan and B. Kobe

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Crystal structure of Clostridium perfringens Delta toxin and a model of its pore-form

J. Huyet, C. E. Naylor, M. Gilbert, M. R. Popoff and A. K. Basak

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Structure of L. pneumophila NTPDase, a functional homolog of eukaryotic NTPDases

J. Vivian, P. Riedmaier, H. Ge, N. J. Le, T. Sofian, F. M. Sansom, M. C. J. Wilce, E. Byres, M. Dias, J. W. Schmidberger, P. J. Cowan, A. J. F. d'Apice, E. L. Hartland and J. Rossjohn

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The adhesin domain of the multidomain protein Epf from Streptococcus pyogenes

C. Linke, N. Siemens, B. Kreikemeyer and E. N. Baker

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Structural studies of fimbrial proteins of the oral bacteria Actinomyces oris

K. Persson, R. Claesson and N. Strömberg

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Structural basis of ligand and pathogen recognition by the collectins

A. Shrive, A. Shaw, A. Ahmed, J. Paterson, C. Smallcombe, K. Reid, M. Deadman, D. Hood, U. Holmskov, H. Clark, J. Madsen and T. Greenhough

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Crystal structure of Staphylococcus aureus MGT in complex with a lipid II analog

C.-Y. Huang, H. Shih, L.-Y. Lin, W.-C. Cheng, C.-H. Wong and C. Ma

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Structural analysis of Toll-like receptor 2-activating lipoprotein

S. Yu, N. Y. Lee, S.-J. Park and S. Rhee

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Structure of the catalytic domain of H. pylori cholesterol-α-glucosyltransferase

S. J. Lee, B. I. Lee, H.-J. Yoon and S. W. Suh

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Structure of the Streptococcus pyogenes β-NAD⁺ glycohydrolase-inhibitor complex

J. Y. Yoon, J. Kim and S. W. Suh

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Crystal structures of Eis proteins from M. tuberculosis and M. smegmatis

K. H. Kim, D. R. An and S. W. Suh

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Crystal structure of the TNF-α inducing protein (Tipα) from Helicobacter pylori: DNA docking study

H.-J. Yoon, J. Y. Jang, J. Y. Yoon, H. S. Kim, S. J. Lee, K. H. Kim, D. J. Kim, S. Jang and S. W. Suh

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LipL32, a virulence factor from pathogenic Leptospira

Y.-J. Sun, J.-Y. Tung, S.-W. Chou, C.-C. Lin, Y.-C. Ko and C.-W. Yang

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Crystal structure of Ia-Actin complex with novel ligand

T. Tsurumura and H. Tsuge

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Structural basis for the Helicobacter pylori carcinogenic TNF〈-inducing protein

H. Tsuge, T. Tsurumura, H. Utsunomiya, D. Kise, T. Kuzuhara, T. Watanabe, H. Fujiki and M. Suganuma

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A model of action for peripheral membrane-associated GT-B glycosyltransferases

S. Urresti, D. Giganti, M. Bellinzoni, M. Jackson, P. M. Alzari and M. E. Guerin

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Structural studies on FlhBc from Salmonella typhimurium and Aquifex aeolicus

V. A. Meshcheryakov, C. S. Barker, I. V. Meshcheryakova and F. A. Samatey

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High-resolution crystal structure of an outer membrane-anchored endolytic peptidoglycan lytic transglycosylase (MltE) from Escherichia coli

C. Artola-Recolons, C. Carrasco-López, L. I. Llarrull, M. Kumarasiri, E. Lastochkin, I. I. M. de, K. Meindl, I. Usón, S. Mobashery and J. A. Hermoso

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Structural characterization of the conjugation machinery in G+ bacteria

R. Pluta, S. Russi, F. Lorenzo-Díaz, R. Pérez-Luque, D. R. Boer, M. Espinosa and M. Coll

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Dimeric and tetrameric forms of enyol-ACP reducatase

S. J. Kim, K.-H. Kim, S. W. Suh and E. E. K. Kim

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Crystal structure of Actinobacillus pleuropneumoniae HMW1C glycosyltransferase

F. Kawai, S. Grass, Y. Kim, K.-J. Choi, J. W. St Geme III and H.-J. Yeo

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Structural characterization of the fructose 1,6-bisphosphatase (II) from M. tuberculosis

H. J. Gutka, S. G. Franzblau, F. Movahedzadeh and C. Abad-Zapatero

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Crystal structure of SmeT bound to the biocide triclosan

F. M. Ruiz, A. Hernandez, A. Romero and J. L. Martínez

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Interaction of the type III secretion chaperone SycD with YscY

M. Schreiner and H. Niemann

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Cell wall modelling in pathogenic bacteria

A. Ruggiero, F. Squeglia, L. Pirone, S. Correale and R. Berisio

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Muropeptide-driven revival from dormancy in bacterial pathogens: a structural perspective

F. Squeglia, A. Ruggiero, D. Marasco and R. Berisio

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Crystallization and preliminary X-ray diffraction analysis of a thioredoxin from Streptococcus pneumoniae

S. G. Bartual, M. Saleh, S. Hammerschmidt and J. A. Hermoso

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Crystal structure of the class D β-lactamase OXA-40

A. Uchida, Y. Ishii, Y. Kouyama and K. Tateda

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Crystallization of MID962-1200: a trimeric autotransporter from M. catarrhalis

M. Hasan, K. Förnvik, M. Thunnissen and K. Riesbeck

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Elucidating the functions of key regulators in biofilm formation and dispersal

D. Lord and R. Page

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Crystal structure of S. aureus AtlE homologous to the glucosaminidase domain of major AtlA

M. Mihelic, L. Bedrac, M. Renko, M. Besenicar and D. Turk

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Acoustically mounted microcrystals yield high-resolution X-ray structures

M. Allaire, A. S. Soares, M. A. Engel, R. Stearns, S. Datwani, J. Olechno, R. Ellson, A. Héroux, J. M. Skinner and A. M. Orville

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The use of kinoform lenses as an option for microbeams in macromolecular crystallography

K. Evans-Lutterodt, K. Qian, J. Jakoncic and V. Stojanoff

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Protein micro-crystallography at the micro focus beamline BL32XU at SPring-8

K. Hirata, Y. Kawano, K. Hashimoto, G. Ueno, T. Hikima, H. Murakami, N. Shimizu, K. Hasegawa, T. Kumasaka and M. Yamamoto

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The long-wavelength MX beamline I23 at Diamond Light Source

A. Wagner, V. Mykhaylyk, M. Burt, J. Kelly, J. Marchal, R. Mercado and K. Wilkinson

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Feasibility study of hard X-ray resonator of sapphire using back reflection

Y.-W. Tsai, Y.-Y. Chang, Y.-H. Wu, C.-H. Chu, D. G. Mikolas, C.-C. Fu and S.-L. Chang

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On a new gram

V. R. Kocharyan, A. R. Mkrtchyan and G. K. Khachaturyan

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NE-CAT crystallography beamlines for challenging structural biology research

I. Kourinov, S. E. Ealick, M. Capel, S. Banerjee, F. Murphy, D. Neau, K. Perry, K. Rajashankar, J. Schuermann and N. Sukumar

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Recent developments in modeling single molecule imaging by X-ray free electron lasers

G. Faigel, G. Bortel, Z. Jurek and M. Tegze

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Bringing microfocus beam and improved sample environment to MX users at Diamond

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The new neutron single crystal diffractometer BioDiff for proteins at FRM II

A. Ostermann, T. E. Schrader, M. Monkenbusch, B. Laatsch, P. Jüttner, W. Petry and D. Richter

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XRD analysis of human dental tissues using synchrotron radiation

M. V. Colaço, R. C. Barroso, I. M. Porto, R. F. Gerlach, F. N. Costa, D. Braz and R. Droppa Jr

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Mayaro virus non-structural protein 3 macro domain, via powder diffraction on a single urchin like crystal

Y. Watier, N. Papageorgiou, B. Coutard, V. Lantez, E. A. Gould, A. N. Fitch, J. P. Wright, B. Canard and I. Margiolaki

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Solid state reactivity and solvent mobility in crystals of a cubane polymer

E. Forcén-Vázquez, J. Campo, L. R. Falvello, F. Palacio and M. Tomás

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Flexibility found in silica-like metal–organic frameworks

I. E. Collings, A. L. Goodwin, A. L. Thompson, M. Dove and L. Rimmer

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Polymer dimensionality lead by supramolecular interactions in cobalt system

A. Guerri, F. Costantino, A. Ienco and S. Midollini

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Inclusion complex of β-cyclodextrin and l-menthol

Y. Kai, M. Yamamoto, N. Kanehisa and T. Inoue

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Self-assembly of metal trischelates to afford extended structures for porous applications

T. Jacobs and M. J. Hardie

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Novel coordination polymers based on rigid and flexible organic ligands and Cu(II) ions

A. B. Lago, R. Carballo, E. García-Martínez, S. Rodríguez-Hermida and E. M. Vázquez-López

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Structural studies and electron-density analysis of thiophene based compounds

M. Ahmed, S. Noureen, P. C. Gros, B. Guillot, C. Jelsch and C. Lecomte

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The exotic ions arrangement in the pyrochlore-type framework of protonic conductor K_0.88Nb₂O_7.58H_4.28 for intermediate temperature PSOFCs

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Rationalising the molecular origins of dyes used in dye sensitized solar cells

K. S. Low and J. Cole

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Crystal structure, local atomic order and metastable phases of zirconia-based nanoceramics for solid-oxide fuel cells

D. G. Lamas, P. M. Abdala, L. M. Acuña, I. O. Fábregas, R. O. Fuentes, N. E. Walsöe de Reca, M. C. A. Fantini, R. J. Prado and A. F. Craievich

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Novel Pn Li₂MnSiO₄: synthesis, DFT-aided characterization and charge/discharge

P. H. J. Mercier, H. Duncan, A. Kondamreddy, Y. Le Page, Y. Abu-Lebdeh, P. S. Whitfield and I. J. Davidson

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Li⁺ ion diffusion and vacancy formation in the Li_1−xFeO₂ electrode material

M. Catti and M. Montero-Campillo

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Structure and thermoelectric properties of Ca-M-Co-O (M = Sr, Zn, and La)

W. Wong-Ng, G. Liu, S. Gutierrez, T. Luo, Q. Huang, J. Martin, Y. Yan and J. A. Kaduk

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Structural changes and voltage output in defect perovskite cathode materials

W. Brant and S. Schmid

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Structure and dehydrogenation properties on ammine borohydride system as hydrogen storage materials

Q. Gu, Y. Guo, K. S. Wallwork and X. Yu

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Altering the properties of metal borohydrides by substitution

M. H. Sørby, C. Frommen, H. Grove, J. E. Olsen, L. H. Rude, T. R. Jensen and B. C. Hauback

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Single crystal neutron diffraction study on Rb_0.51Tl_0.49H₂PO₄

I.-H. Oh, K.-S. Lee, M. Meven and G. Heger

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Li insertion in ball milled graphitic carbons by total XRD

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X-ray and neutron studies of defect formation in LiFe_1−xMn_xPO₄

K. M. O. Jensen, M. Christensen, B. P. C. Tyrsted and B. B. Iversen

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Exciting crystal chemistry of mixed metal-borohydrides

P. Schouwink, D. B. Ravnsbæk, V. d'Anna and R. Černý

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An in situ synchrotron X-ray powder diffraction study of size dependent phase transitions in nanostructured ZrO₂-Sc₂O₃ solid solutions

P. M. Abdala, D. G. Lamas, A. F. Craievich and M. C. A. Fantini

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Synchrotron XRD and XAS studies of nanocrystalline ZrO₂-Y₂O₃ solid solutions

I. Fábregas, N. Walsöe de Reca, D. Lamas, A. Craievich and M. Fantini

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Large anharmonicity in end members of AgPb_mSbTe_2+m

S. Kastbjerg, M. Christensen, M. Søndergaard and B. B. Iversen

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Structural features and physical properties of In₂Bi₃Se₇I and InBi₂Se₄I

T. Rosenthal, M. Döblinger, P. J. Wagatha and O. Oeckler

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Structure analysis of monazite-type ceramics used for nuclear waste management

S. Schmitz, H. Schlenz and D. Bosbach

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Characterization of synthetic Sm_1−xCe_xPO₄ ceramics used for nuclear waste management

J. Heuser, H. Schlenz and D. Bosbach

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Raman spectra of synthetic orthophosphates used for nuclear waste management

H. Schlenz, J. Heuser, S. Schmitz and C. Babelot

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XRD analysis of the corrosion products of research reactor fuel elements

A. Neumann, H. Curtius, M. Klinkenberg and D. Bosbach

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Stability and conductivity of Ce-doped pyrochlores for SOFCs applications

A. Cantos-Gómez, R. Ruiz-Bustos and J. van Duijn

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Crystal structure and diffusion path of mixed conductors PrBa_1−xSr_xCo₂O₅₊ (x = 0 and 0.5)

Y.-C. Chen, M. Yashima, J. Pena and A. J. Kilner

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In situ high-temperature powder diffraction study of T/P91 steel oxidation

I. Popa, H. Evin, C. Curfs and S. Chevalier

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Structural properties of AFeO_3−δ perovskites. Effect of A-site parameters

K. Vidal, L. O. San-Martín, A. Martínez-Amesti, A. Larrañaga and M. I. Arriortua

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Investigations of LiMn₂O₄ nanocrystalline electrode materials

E. Talik, A. Załóg, D. Skrzypek, A. Guzik, M. Michalska and L. Lipińska

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Probing 'breathing' mechanisms of ZIFs with high pressure

A. Graham, C. Morrison, S. Hunter and S. Moggach

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TEM study of pressure-induced C₆₀ transformation into ill-ordered graphite phase

C. Lepoittevin, M. Alvarez-Murga, M. Mezouar and J.-L. Hodeau

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High pressure X-ray powder diffraction study of BaWO₄

O. Gomis, R. Lacomba-Perales, D. Errandonea and Y. Meng

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The effect of high-pressure on molecular magnetism

A. Prescimone, S. Parsons, E. K. Brechin, S. Hill and S. Tozer

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Structural and related electronic transitions in GaFeO₃ under high pressure

G. K. Rozenberg, R. Arielly, W. M. Xu, E. Greenberg, M. P. Pasternak, G. Garbarino and S. Clark

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Structure and properties predictions for high-pressure crystal structures: BI₃, Mg, and Si

D. D. Klug and Y. Yao

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The influence of the Jahn–Teller effect at Fe²⁺ on the structure of chromite at high pressure

A. Kyono, S. A. Gramsch, T. Yamanaka, D. Ikuta, A. Ahart, B. O. Mysen, H. K. Mao and R. J. Hemley

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Anharmonic atomic vibration of Pb(Mg_1/3Nb_2/3)O₃ relaxor under high pressure

T. Yamanaka, M. Aihaiti, Y. Nakamoto, Z.-G. Ye, H. Mao and R. J. Hemley

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Pressure induced phase transitions in aperiodic composites

B. Toudic, P. Rabiller, C. Ecolivet and P. Bourges

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Pair distribution function studies of the pressure-induced amorphisation of zeolites

J. Hriljac, T. Lucas, J. Readman, K. Chapman and P. Chupas

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Accurate thermodynamics in the quasiharmonic approximation

A. Otero-de-la-Roza and V. Luaña

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Pressure-induced phase transitions in L-alanine and DL-alanine, revisited

N. Tumanov, E. Boldyreva, A. Kurnosov and R. Q. Cabrera

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Phase changes of H₂ and He hydrates under high pressure and low temperature

H. Hirai, A. Umeda, K. Shimizu, T. Fujii, S. Machida, A. Shinozaki, T. Kawamura, Y. Yamamoto and T. Yagi

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Study of the behavior of alkali sulfides under pressure

D. Santamaría-Pérez, A. Vegas, C. Muehle and M. Jansen

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Pressure-induced B1-B2 phase transition in AgX: revisited

J. Kung and C.-H. Lin

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Polymorphism of 1,4-diazabicyclo[2.2.2]octane complexes with HI and HBr

A. Olejniczak, W. Nowicki and A. Katrusiak

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Amorphization in rare earth tungstates with modulated scheelite-type structure under pressure

N. Sabalisck, L. Mestres, X. Vendrell, E. Cerdeiras, D. Santamaría, V. Lavin, A. Muñoz, P. Rodrígues-Hernández, J. Lopez-Solano, E. Matesanz and M. C. Guzman-Afonso

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Non ambient crystallographic studies of dithienylethene optical molecular switches

C. Woodall, P. Raithby and D. Allan

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Investigating the structure of BaTiO₃ using pair distribution function analysis of high-energy X-ray scattering data

T. Lucas and J. A. Hriljac

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Modeling of disorder in BaThF₆: anharmonic displacement parameter from high-pressure data

K. Friese, J. M. Posse, W. Morgenroth and A. Grzechnik

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High-pressure structure of Mn₂(CO)₁₀: an off-axis M-M bond

P. Macchi, N. Casati, F. Gozzo, P. Simoncic and D. Tiana

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Atomic polarization and multipolar model

A. Krawczuk-Pantula and P. Macchi

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Charge-density studies of a new class of high-performance NLO materials

T.-C. Lin and J. M. Cole

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Polytype of illite clays solved by charge flipping

H. Wang and J. Zhou

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Experimental electron-density analysis without multipoles

S. Grabowsky, D. Jayatilaka, B. Dittrich and M. A. Spackman

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Electrostatics of host-guest interactions from charge density analysis of neutral complexes of 18-crown-6

M. A. Spackman, R. O. Fuller, A. N. Sobolev, P. A. Schauer, S. Grabowsky and G. A. Koutsantonis

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Polymorphism studied with invariom-derived cluster dipole moments

B. Dittrich, J. Lübben and K. Pröpper

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Charge density analysis of the [RhCp*(N-Me-L-Pro)Cl] rhodium complex

P. García-Orduña, M. P. Lamata, D. Carmona and F. J. Lahoz

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A qualitative and quantitative analysis of dynamic charge densities

S. J. Prathapa, S. Mondal and S. van Smaalen

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The transferability of atomic multipoles in amino acids and peptides

M. Woińska and P. M. Dominiak

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Bond characterization of trans-4,4′-azo-1,2,4-triazole: a combined experimental and theoretical charge density study

W.-C. Chung, L.-C. Wu, Y. Wang, G.-H. Lee and C.-C. Wang

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New version of UBDB databank and LSDB program, verification and applications

K. N. Jarzembska and P. M. Dominiak

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Comparison of electrostatic energies between selected DNA-ZnF complexes

A. Goral and P. Dominiak

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Experimental charge density study and bond characterization on [Cu(I)(4-pytH)₂](HC₄O₄)

L.-C. Wu, Y. Wang, G.-H. Lee, C.-C. Wang and Y.-S. Chen

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MoProViewer: a molecular viewer for the MoPro charge density analysis program

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Electron microscopy and X-ray diffraction study of the one-dimensional (NbSe₄)_10/3I system

A. Prodan, M. Zubko, J. Kusz, H. J. P. van Midden, J. C. Bennett, G. Dubin and H. Böhm

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Resonant X-ray diffraction from CB-type charge-orbital order in Nd_1.5Sr_0.5NiO₄

Y. Yamasaki, M. Uchida, H. Nakao, Y. Murakami and Y. Tokura

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Can negative spin densities really be detected in the magnetic field densities of a nitronyl nitroxide radical?

M. Susli, M. A. Spackman and D. Jayatilaka

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Preliminary deformation density studies of Z-DNA hexamer duplex d(CGCGCG)₂

M. Kubicki, K. Brzeziński, M. Jaskólski, Z. Dauter and B. Guillot

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Charge density studies on N-n-butyltetrachlorophthalimide

T. Borowiak, G. Dutkiewicz, A. Paul, M. Kubicki and B. Misterkiewicz

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Electrostatics of fluoroquinolone antibiotics derived from crystal structures

J. J. Holstein, C. B. Huebschle and B. Dittrich

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Dipole moment determination in push-pull chromophores from charge density data

C. W. Lehmann and T. Dols

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Charge density study of an nonlinear optical compound – a combined experimental and theoretical study

A. Chouaïh, N. Boubegra, N. Benhalima, M. Drissi and F. Hamzaoui

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Topological analysis and charge-density studies of m-nitrophenol compound. A combined experimental and theoretical study

F. Hamzaoui, A. Chouaïh, M. Drissi and N. Boubegra

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Experimental charge-density study of the [RuCl(κ³-N,N,O-bdmpza)(η⁴-cod)] complex

M. J. Artigas, P. García-Orduña, C. Cunchillos and F. J. Lahoz

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X-ray absorption spectroscopy studies of copper site in the ubiquinol oxidase

E. Nazarenko, J. Sjöhamn, L. Johansson, P. Edlund, A. Polyakova, G. Katona, A. Nasedkin, S. Figueroa and R. Neutze

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Ferrocene and fluorescence studies: how can we understand stereochemistry of dilute systems?

C. T. Chantler, M. T. Islam, S. P. Best and F. Wang

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Conformational studies of bovine insulin

C. G. Frankær, K. Ståhl and P. Harris

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XAS/XRD complementary data on metallodrugs and their proteins complexes

I. Ascone, L. Messori, A. Balerna, C. Castellano, C. Gabbiani, A. Casini, C. Marchioni and A. C. Castellano

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Regularity of d(CGCGCG)₂ Z-DNA seen in ultrahigh-resolution crystal structure at 0.55 Å

Z. Dauter, M. Dauter, K. Brzezinski, M. Kubicki and M. Jaskolski

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Direct determination of long-period stacking/ordered structures in Mg₈₁Zn₈RE₁₁

D. Egusa and E. Abe

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A method to determine the three-dimensional morphology and crystallography of nanoparticles

H. Katz-Boon, C. J. Rossouw, M. Weyland, A. M. Funston, P. Mulvaney and J. Etheridge

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Real space charge density mapping by quantitative convergent beam electron diffraction (QCBED)

J. C. H. Spence and B. Jiang

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Direct measurements of lattice distortion and mapping of point defects

J.-H. Kwon, M. Kim, J. Liu and J.-M. Zuo

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Vapour induced transformations investigated by powder diffraction analysis

K. Fujii, Y. Ashida and H. Uekusa

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Time-resolved structure analysis of photo-induced molecular dynamics in TTF-CA

M. Hoshino, T. Sato, A. Tomita, S. Nozawa, S. Adachi and S. Koshihara

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Reorientation of hydrogen bonds in clathrates of Dianin's compound and hydroquinone

A. Nemkevich, M. A. Spackman and B. Corry

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Dynamic and thermodynamic properties of glycine polymorphs from diffraction data

T. Aree, H.-B. Bürgi, D. Chernyshov and K. W. Törnroos

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Observation of the photo-excited state of [Co^III(en)₃]³⁺ by picosecond time-resolved XAFS

T. Sato, S. Nozawa, A. Tomita, M. Hoshino, S. Koshihara, M. Iwamura and S. Adachi

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Development for X-ray crystal structure analysis of a surface-shallow layer

K. Toriumi, H. Yamanaka, A. Takazaki, D. Yamashita, M. Mitsumi, Y. Ozawa and O. Sakata

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Evidence of one-dimensional precursors in the photoinduced transformation in TTF-CA

L. Guérin, E. Collet, J. Hébert, M. Buron-Le Cointe, S. Adachi, S. Koshihara and H. Cailleau

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Structural and electrochemical study of copper complexes derived from dehydroacetic acid

A. Djedouani, C. Massika, A. Beghidja and C. Beghidja

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Humidity-induced phase transition of xylose isomerase

Y. Sugawara, M. Ootaki, S. Yamamura, S. Endo and M. Nakasako

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X-ray diffraction study of some natural resins

I. A. Belío-Reyes and L. Bucio

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Archaeometric study of terra sigillata hispanica from Baetican workshops

J. M. Compana, L. León-Reina and M. A. G. Aranda

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Moroccan geometric patterns and symmetry

Y. Aboufadil, A. Thalal, J. Benatia, A. Jali and M. A. E. Raghni

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Provenance determination of 18th-century ceramic pastes by X-ray powder diffraction

J. J. Elvira, J. M. Rovira, F. Plana, M. J. Portella, S. Álvarez and J. Ibáñez

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Difficulties in identification of copper-based pigments in objects of art

P. Bezdička, S. Švarcová, Z. Petrová, A. Rafalska-Łasocha, W. Łasocha and D. Hradil

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Determination of the metallurgical properties of six ferrous Japanese arrow tips through time-of-flight neutron diffraction

E. Barzagli, F. Grazzi, A. Scherillo, F. Civita and M. Zoppi

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Importance of X-ray analyses in slag studies at Clintonville, New York, USA

M. R. Guild and D. J. Farthing

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The fluorescence life time of ruby at high pressures and temperatures

J. D. Bauer, L. Bayarjargal and B. Winkler

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Energy-domain SR ⁵⁷Fe-Mössbauer spectrometer for high-pressure mineral physics

N. Hirao, Y. Ohishi, T. Matsuoka, T. Mitsui and E. Ohtani

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Setting up a home high-pressure laboratory from scratch – when is it worth it?

A. J. Blake, D. R. Allan, N. R. Champness, J. McMaster and M. Schröder

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High-resolution single-crystal neutron diffraction to 10 GPa

C. L. Bull, K. Komatsu, M. Guthrie, R. J. Nelmes, J. S. Loveday, H. Hamidov, M. Fernandez-Diaz and M. J. Gutman

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Low-temperature high-pressure analysis utilizing a novel pressure cell design

C. Cameron, S. Parsons, S. Moggach, K. Kamenev and D. Allan

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Novel microfocus X-ray sources for high-pressure crystallography

J. Graf, B. Hasse, F. P. A. Fabbiani, M. R. Probert, A. E. Goeta, J. A. K. Howard and C. Michaelsen

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Silver the new gold standard for high-pressure single crystal X-ray diffraction

M. R. Probert, J. A. Coome, A. E. Goeta and J. A. K. Howard

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The XIPHOS diffraction facility for extreme sample environments

A. E. Goeta, M. R. Probert, J. A. Coome, C. M. Robertson and J. A. K. Howard

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X-ray resonant scattering – origin of Fe K pre-edge peak of magnetite

S. Sasaki, T. Yasue and M. Okube

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Electron-density distribution of Fe₃O₄ on resonant X-ray magnetic scattering

Y. Abe, M. Okube and S. Sasaki

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Magnetic structures of BaTiMFe₁₀O₁₉ (M = Mn, Co) by resonant magnetic scattering

A. Kinoshita, M. Okube, T. Toyoda and S. Sasaki

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X-ray magnetic diffraction and magnetic Compton scattering of Pd-Co and Pt-Fe

M. Ito, A. Sato, R. Yamaki, M. Naito, K. Kobayashi, T. Nagao, K. Suzuki, H. Sakurai, H. Maruyama, M. Itou and Y. Sakurai

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Perpendicular magnetic anisotropy in Co/Pd multilayer grown by MBE technique

K. Suzuki, N. Go, S. Emoto, M. Itou, Y. Sakurai and H. Sakurai

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Growth and characterization of selectively doped surface modified ZnO nanocrystals

K. Byrappa, K. Namratha, D. Ehrentraut, G. K. L. Goh and T. Adschiri

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Growth of metal oxide–organic hybrid nanocrystals and their interfaces in environmental applications

K. Byrappa and K. Namratha

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Study of the intercalation of organic molecules into hydrotalcite by fast in situ XRPD

E. Conterosito, M. Milanesio, L. Palin, B. W. Van, L. Perioli, D. Viterbo and G. Croce

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Crystallogenetic grounds of isomorphism

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Anomalous structure and structure reconstructions of nano-dispersed powders of rare earth oxides and fluorides produced from amorphous precursors

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Improvement of crystal qualities by solution stirring techniques

M. Maruyama, S. Murakami, Y. Takahashi, M. Imade, M. Yoshimura, K. Murakami and Y. Mori

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Mechanical property measurements of growing lysozyme crystal by atomic force microscopy with laser confocal differential interference microscopy

S. Yanagiya and N. Goto

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The nanoscale composite nature of biological carbonate skeletons

P. Alexa, D. Xu, X. Wang, G. Jordan, E. Griesshaber and W. W. Schmahl

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Step interlacing on the (100) face of retgersite crystal

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When does the chirality of NaClO₃ crystals arise in solution growth?

H. Niinomi, K. Tsukamoto, T. Kuribayashi and H. Miura

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Functionalized ZnO nanostructures for gas sensing and photovoltaic applications

A. Zappettini, D. Calestani, L. Lazzarini, M. Villani, F. Fabbri, L. Zanotti, N. Coppedè, M. Nardi and S. Iannotta

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Principle of the unique adhesion mode in protein crystallization

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A crystal growth approach for DNA nano-structure formation

H. Miura, Y. Ueno, S. Hamada, S. Murata and K. Tsukamoto

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Time-dependent effects in counter-diffusion nucleation

F. O. Muñoz and M. A. Duran

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Crystal growth in carbon sequestration

K. Tsukamoto, H. Satoh, Y. Oshima, A. Ueda, H. Miura, Y. Araki and Y. Kimura

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How slow do giant gypsum crystals grow?

A. E. S. Van Driessche, J. M. García-Ruíz, K. Tsukamoto, L. D. Patiño and H. Satoh

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Stochastic formalism for nucleation under unsteady conditions

M. A. D. Olivencia and F. O. Muñoz

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Nucleation and growth of crystals within the frames of the quataron concept

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Direct AFM observations of dissolution processes on dioxydine crystal defects

N. N. Piskunova

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In situ observation of stress and strain evolution during surfactant-mediated growth of Ge on Si

H. Asaoka, T. Yamazaki and S. Shamoto

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Hydrothermal synthesis of new Er_xNi_xZn_1−2xO nanomaterials and their physical properties

A. Alemi, S. J. Ahmadi and A. Khandar

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A novel three-dimensional framework induced by π⋯π stacking of 2,2′-(alkylene-1,6-diyl)diisoquinolinium from Q[6]-based pseudorotaxane

G. Wei, Z.-F. Fan, X. Xiao, Y.-Q. Zhang, S.-F. Xue, Q.-J. Zhu and Z. Tao

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Study of ZnO nanoparticles thin films deposited by spin-coating

A. Alvarado-Garcia, H. Juarez, M. Pacio, G. Garcia and R. Perez

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Crystal nucleation in X-ray amorphous natural silicates

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In situ investigation of aragonite formation in atomic resolution by FM-AFM

Y. Araki, K. Tsukamoto, R. Takagi, T. Miyashita, N. Oyabu, K. Kobayashi and H. Yamada

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Quick Pt nanocrystal growth and coalescence on exposition to NO

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Synthesis of Nd-Fe-B nanocomposite magnets by reactive mechanical milling

S. Kumon and R. Tamura

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Structural biology of TIM proteins: a family of cell surface phosphatidylserine receptors that regulate immunity

J. M. Casasnovas, A. Ballesteros, C. Santiago, M. Echbarthi, G. G. Kaplan and G. J. Freeman

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Substrate recognition by complement convertases revealed in the C5-CVF complex

G. R. Andersen and N. S. Laursen

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MHC class I and class II reactivity mediated by a single T cell receptor

S. Eckle, S. Gras, L. Kjer-Nielsen, C. Smith, R. Khanna, J. Rossjohn and J. McCluskey

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Structure of human C8 suggests how complement forms circular membrane pores

L. Lebioda, L. L. Lovelace, C. L. Cooper and J. M. Sodetz

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A glue and zipper mechanism upholds the TCR-peptide-MHC interaction

S. Gras, Z. Chen, P. Wilmann, A. Brooks, J. McCluskey, S. R. Burrows and J. Rossjohn

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The assembly of C4b-binding protein via its oligomerisation domain

J. J. E. Caesar, F. Hill and S. M. Lea

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Structural and functional investigation of the trans-encoded HLA-DQ8/2

C.-Y. Kim, S. Tollefsen, K. Hotta, X. Chen, B. Simonsen, P. Jayaraman, K. Swaminathan, I. Mathews and L. M. Sollid

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Crystal structure of HLA-DQ2.5 in complex with CLIP

P. Jayaraman, E. Bergseng, K. Hotta, I. Mathews, L. M. Sollid and C.-Y. Kim

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Structure, function and evolution of the serum pentraxins

T. Greenhough, M. Mold, J. Moran, I. Burns, J. Paterson, S. Bailey, J. Bailey, P. Armstrong and A. Shrive

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Structural basis of recognition of pathogen-associated molecular patterns by PGRP-S

P. Sharma, D. Dube, M. Sinha, P. Kaur, S. Sharma and T. P. Singh

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Structural studies of macrophage proteins using UQSG pipeline

K.-E. Chen, J. Arrifin, J. M. Hill, M. J. Sweet, S. Kellie, B. Kobe and J. L. Martin

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Deciphering the mechanisms responsible for promiscuity in primary humoral response

T. Khan and D. M. Salunke

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Crystal structure of CEL-IV, isolated from a sea cucumber, Cucumaria echinata

H. Unno, T. Hatakeyama, T. Kamiya, M. Kusunoki, S. Nakamura-Tsuruta, J. Hirabayashi and S. Goda

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Structural analyses of mouse MD-1 protein complexed with endogenous phospholipid

U. Ohto, H. Harada and Y. Satow

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Structure and mechanisms of SIGN-R1, pneumococcal and sialylated protein receptor on macrophages

N. Silva-Martin, S. Galan, J. D. Schauer, G. C. Park and J. A. Hermoso

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Structural basis of carbohydrate recognition by calreticulin

G. Kozlov, C. L. Pocanschi, A. Rosenauer, D. B. Williams and K. Gehring

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Fluorogen-activating proteins

R. L. Stanfield, C. Szent-Gyorgyi, S. Andreko, M. P. Bruchez, P. Berget, A. Waggoner and I. A. Wilson

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Crystal structure of an aminopeptidase important in antigenic peptide processing

J. R. Birtley, E. Saridakis, E. Stratikos and I. M. Mavridis

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Structure-energy relationship of biological halogen bonds: development of anisotropic force fields

M. Carter, A. Voth and P. S. Ho

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Surface flexibility of Plk1 – implications in substrate binding and drug design

P. Sledz, S. Lang, C. Stubbs, M. Hyvonen and C. Abell

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The molecular basis of MAPK specificity and fidelity

D. M. Francis, D. Koveal, W. Peti and R. Page

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Structure of the plakin domain of plectin by SAXS

R. M. Buey, E. O. Portero and J. M. de Pereda

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Low-resolution structure in solution and amyloidogenesis of human cystatin C

M. Kozak, M. Taube, M. Murawska, A. Szymańska and A. Grubb

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Biological small-angle scattering – a tool for gaining structural insight when other methods aren't enough

A. R. Criswell, K. Sasaki, M. Degen and L. Jiang

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Towards the three-dimensional structure of human small heat-shock proteins B1 and B6

S. V. Strelkov, S. D. Weeks, E. V. Baranova, S. Beelen, M. Heirbaut, O. V. Bukach and N. B. Gusev

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Using Raman and fluorescence spectroscopies in protein crystallography

D. V. Stetten, D. de Sanctis, M. Noirclerc-Savoye, M. Weik, P. Carpentier and A. Royant

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Structure of the second pair of fibronectin type III repeats of the integrin β4

N. Alonso, R. M. Buey, H. Urien, A. Sonnenberg and J. M. de Pereda

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Raman assisted X-ray crystallographic study of nitric oxide binding to deoxygenated hemoglobins

A. Pica, A. Merlino, A. Balsamo, L. Mazzarella and A. Vergara

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Small-angle X-ray scattering studies of effect of pH and temperature on the global compactness on cellobiohydrolase I from Trichoderma harzianum

F. Colussi, F. R. Rosseto, V. Serpa, M. L. Voltatódio, M. O. Neto, W. Garcia and I. Polikarpov

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Assembly and solution structure of the retromer complex

S. Norwood, D. Shaw, N. Cowieson, J. Swarbrick and B. Collins

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On-axis single-crystal Raman, fluorescence and UV/Vis micro-spectroscopy at the MX SpectroLab of the Swiss Light Source

M. R. Fuchs, F. S. N. Dworkowski, G. Pompidor, V. Thominet and C. Schulze-Briese

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Biophysical and structural characterization of the stress response protein CpxP

G. L. Thede, D. C. Arthur, R. A. Edwards, D. R. Buelow, T. L. Raivio and J. N. M. Glover

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Structure of monomeric and dimeric Sgt1 protein from Hordeum vulgare in solution

M. Taube, J. Pienkowska, A. Jarmolowski and M. Kozak

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The Structural Biology Knowledgebase – structures, functions, methods and more

J. Westbrook, M. Gabanyi, Y.-P. Tao, R. Shah, D. Micallef, W. McLaughlin, T. Schwede, K. Arnold, L. Bordoli, P. Adams, W. Minor and H. Berman

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Combination of in situ optical spectroscopy and macromolecular crystallography

G. Pompidor, F. Dworkowski, V. Thominet, M. Hough, H.-P. Hersleth and M. Fuchs

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The HC1 at Diamond, setup, use and first successful results

J. Sanchez-Weatherby, J. Sandy and T. Sørensen

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More flux, less background: improvements in low power X-ray beam delivery systems

N. Galatanu, S. Rodrigues, P. Panine and P. Hoghoj

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Copper(I) anilide complex [Na(phen)₃][Cu(NPh₂)₂] – an intermediate of copper-catalyzed N-arylation of N-phenylaniline reaction

S.-G. Shyu, C.-K. Tseng, C.-R. Lee and C.-C. Han

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Effect of thermal treatment on characteristics nanodiamonds and diamond blend

S. N. Ivashevskaya, V. A. Lebedev and G. P. Kopitsa

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Synthesis of nanographene organometallics for deposition on a graphene surface

A. Parlett, P. Raithby, A. Ilie, G. Jones, S. Fuertes and S. Bending

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XRD characterization of bulk graphene-based material

G. Carotenuto, D. Altamura, C. Giannini and D. Siliqi

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Polymorphs of some common drugs and bioactive agents

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High throughput crystallization of orcinol with various N-acceptor coformers: an alternative approach for exploring the structural landscape

T. S. Thakur, P. Grobelny, A. Mukherjee and G. R. Desiraju

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Polymorphism of a model arylboronic azaester – combined experimental and computational studies

K. Durka, A. A. Hoser, R. Kamiński, S. Luliński, J. Serwatowski, W. Koźmiński and K. Woźniak

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Crystal structure of the drug diethylcarbamazine and a new maleate salt

C. C. P. da Silva, S. B. Honorato, L. Ribeiro, M. D. Bocelli, N. Boechat, J. S. Mendonça, A. P. Ayala and J. Ellena

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Spacer geometry and 5-HT_1A receptor affinity of LCAPs

M. Główka, M. Szczesio and A. Olczak

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A generic method to increase throughput and efficiency of crystallization optimization

J. Xu and M. Willis

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On the crystal structure of the common antihistaminic dexchlorpheniramine maleate

J. M. Delgado, R. Toro, D. Choquesillo-Lazarte, J. M. García-Ruiz and G. D. de Delgado

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Rapid monitoring polymorphism of clopidogrel (plavix)

N. Muangsin, C. Phurat and T. Teerawatananon

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A monoclinic polymorph of the ticlopidine hydrochloride

A. C. Doriguetto, P. V. de Lima, P. P. Neves, A. O. Legendre, F. T. Martins and J. Ellena

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Diversity of gossypol clathrates with pyrazine

M. Honkeldiyeva, S. Talipov, B. Ibragimov and J. Hulliger

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Formation of gossypol clathrates by vapor sorption

B. Ibragimov, M. Honkeldiyeva and S. Talipov

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The crystal structures of gossypol reaction products with 4-aminoantipyrine

S. Talipov, Z. Tiljakov, A. Ibragimov, K. Tilyabaev, J. Ashurov and B. Ibragimov

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Planarity and activity of aroyldithiocarbazoates

A. Truchlewski, M. Szczesio, A. Olczak and M. L. Główka

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Polymorphism and co-crystal formation in the glycine-carboxylic acid systems

E. Losev, M. Mikhailenko and E. Boldyreva

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Low-temperature polymorphic transitions in chlorpropamide and tolbutamide

T. N. Drebushchak and E. V. Boldyreva

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Detection, by X-ray diffraction, of new bisphosphonate polymorphs of alendronate and risedronate treated hydroxyapatite

M. E. Fernández and I. Fábregas

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Novel polymorphs of curcumin

P. Sanphui, N. R. Goud, U. B. R. Khandavilli and A. Nangia

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A novel ternary complex involving two antitubercular drugs

S. Cherukuvada and A. Nangia

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Cocrystallization of GABA adducts

N. Khosavithitkul and K. J. Haller

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A new polymorph of halothane: an in situ cryo-crystallographic study

R. Sathishkumar and T. N. Guru Row

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Supramolecular chemistry of anti-HIV nucleoside drugs: toward smart crystal phases and self-assembled DNA-mimicries

J. Ellena, M. D. Bocelli, A. C. Doriguetto and F. T. Martins

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Probing gels as a media for the growth of co-crystals

D. Choquesillo-Lazarte and J. M. García-Ruiz

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Structure of mildronate, its pharmaceutical salts and cocrystals

A. Mishnev, I. Kalvins, L. Aleksejeva and A. Lebedev

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Aging driven decomposition in zolpidem hemihydrate

D. Vega, R. Baggio, M. Roca and D. Tombari

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Exploring phases of a physiologically-active nitronyl nitroxide free radical

J. M. Cuevas, A. Alvarez-Larena, A. M. Molins-Pujol, J. F. Piniella and L. Vila

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X-ray powder diffraction study of malic acid

A. Isakov, E. Kotelnikova, L. Kryuchkova and H. Lorenz

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Physical form screening of olanzapine and amoxapine

R. Miglani, G. Miller, I. Oswald and A. J. Florence

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New insight into the desmotropy of irbesartan

K. Schenk-Joss, M. Bonin, P. Ochsenbein, J. Kieffer, M. El-Hajji, M. Lemée-Cailleau and S. Mason

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A new pharmaceutical co-crystal: (S)-naproxen-isonocotinamide

C. Yuste-Vivas, M. R. Silva, R. A. E. Castro, J. D. B. Ribeiro, T. M. R. Maria, J. Canotilho and M. E. S. Eusébio

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Growth and characterization of p-CADHP and p-CAHS single crystals

A. Direm, W. Falek, Z. Boutobba and N. Benali-Cherif

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Crystal structure of cytosinium–hydrogen maleate–cytosine

W. Falek, A. Direm, Z. Boutobba and N. Benali-Cherif

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Crystal structure and hydrogen graph motifs in anilinium hydrogensulfate

Z. Boutobba, A. Direm, W. Falek and N. Benali-Cherif

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Thiodiazolo[2,3-a](py) as an oxidative cyclization of (py)carbamothioyl by Cu²⁺

F. Adhami, F. Simyari and M. Ehsani

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Mosquito Crystal: fast, reliable automation of protein crystallization drop set-up

J. Jenkins, D. Smith, C. Carter and W. Gaisford

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Ion substitution in tourmaline with chromophore elements growing in hydrothermal conditions

O. S. Vereshchagin, I. V. Rozhdestvenskaya, O. V. Frank-Kamenetskaya, T. V. Setkova and Y. B. Shapovalov

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First silicate mineral with triple tetrahedral layer

S. M. Aksenov, R. K. Rastsvetaeva and N. V. Chukanov

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New members in sodium cadmium bisulfate: structure, property and thermal studies

D. Saha, G. Madras and T. N. Guru Row

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Structural analysis of new mineral phases

M. Stachowicz, J. Parafiniuk, B. Baginski, R. Macdonald and K. Wozniak

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The crystal structure of huemulite

F. Colombo, R. Baggio and A. R. Kampf

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Structural investigations of synthetic analogues of murataite

A. S. Pakhomova, S. V. Krivovichev, S. V. Stefanovsky and S. V. Yudintsev

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Crystal structure of vanadate garnet Ca₂NaCd₂V₃O₁₂

A. Yoshiasa, S. Nishimiya, A. Nakatsuka, K. Iishi, M. Okube and H. Okudera

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Static disorder of vanadium ion in NaSr₂Mg₂V₃O₁₂ garnet

A. Nakatsuka, H. Tsukamoto, M. Shimokawa, N. Nakayama and A. Yoshiasa

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HT-behavior of fettelite: fast ion conduction and ionic phase transition

S. Menchetti and L. Bindi

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Hierarchical self-organization: the case of monodispersed spherical silica particles

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Modular structure of galuskinite Ca₇(SiO₄)₃(CO)₃

B. Lazic, T. Armbruster, V. Savelyeva, A. Zadov, N. Pertsev and P. Dzierzanowski

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Chlorapatite to hydroxiapatite ion-exchanging, single-crystal point of view

B. Dacuña-Mariño, E. García-Tuñón, J. Franco, G. Zaragoza and F. Guitián

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Structural and spectroscopic study of a series of PbMBO₄ compounds (M = Al, Fe, Mn)

M. M. Murshed, A. Rusen, R. X. Fischer and T. M. Gesing

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Crystal-chemical and structural characterization of fluorapatites from Somma-Vesuvius volcanic complex

F. Capitelli, G. Chita, M. R. Ghiara and M. Rossi

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Effect of Ti-doping on electron configuration and ADPs in synthetic titanomagnetites

T. Niimi and H. Okudera

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Structural properties of gahnite doped with cobalt, manganese or titanium

B. Grzeta, J. Popovic, M. Vrankic, E. Tkalcec, S. Kurajica and B. Rakvin

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Structure and spectroscopic study of A_0.50SbFe(PO₄)₃ (A = Mn, Ca, Cd, Sr) Nasicon phosphates series

M. R. Tigha and A. Aatiq

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Structural study of ferromagnetic metal-insulator transition in hollandite chromium oxide, K₂Cr₈O₁₆

A. Nakao, Y. Yamaki, H. Nakao, Y. Murakami, M. Isobe and Y. Ueda

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Synthesis and characterization of a new solid solution with lyonsite type structure

M. B. Amara, M. Hidouri, M. Mabrouk, M. L. López and C. Pico

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Structural investigation on Ba₂CoGe₂O₇ at room and low temperature

V. Hutanu, A. Sazonov, D. Chernyshov, M. Meven, B. Nafradi and I. Kezsmarki

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Study of the transformation of boehmite into alumina by Rietveld method

L. Fillali, H. Tayibi, J. A. Jiménez, A. López-Delgado and S. López-Andrés

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The forms of fluorite crystals as an important factor for prospect evaluation of mineralization (in case of deposits of Tajikistan)

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Study of charge stripes and charge density waves using X-ray scattering

C. Du, S.-H. Lee, C.-L. Huang, Y.-C. Lai, P.-F. Wu and F. C. Chou

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Under the microscope: crystallographic and spectroscopic study of Rh(I) complexes

A. Brink, H. G. Visser and A. Roodt

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Structural origin of ferromagnetism in Mn- and Co-doped Y₂O₃ nanocrystals

Y.-L. Soo, T.-S. Wu and S.-L. Chang

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The X-ray extended range technique for high-accuracy XAS for comparison and improvement to theoretical modeling

N. A. Rae and C. T. Chantler

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Modulation excitation spectroscopy adapted to crystallography

R. Caliandro, W. van Beek, M. Milanesio, A. Urakawa, D. Chernyshov, D. Viterbo, L. Palin and H. Emerich

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Influence of defects on the polarization dependent DAFS of rutile TiO₂

M. Zschornak, C. Richter, D. Novikov, S. Gemming and D. C. Meyer

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Crystal structure and local atomic order in nanostructured La_0.6Sr_0.4CoO_3−δ

L. M. Acuña, R. O. Fuentes and D. G. Lamas

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Structure of an octahydrated metformium decavanadate salt

A. Chatkon, K. J. Haller and D. C. Crans

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Ferroelectricity and XANES spectra in PbTiO₃, BaTiO₃ and SrTiO₃

T. Nakatani, T. Hiratoko, M. Okube, K. Murai and A. Yoshiasa

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Temperature dependence of pre-edge feature in Ti K-edge XANES spectra for ATiO₃, A₂TiO₄ (A = Mg, Ca, Fe, Sr and Ba) and TiO₂ compounds

T. Hiratoko, T. Nakatani, H. Okudera, A. Nakatsuka and A. Yoshiasa

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A gold(III) complex of the neuroepileptic drug gabapentin

D. C. Levendis, A. Shaikjee, H. M. Marques and R. Mampa

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Crystal structure of Zn complex with chelidamic acid and acridine

Z. Derikvand, A. Nemati and M. Mansouriki

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Effects of substituents on the conformational diversity of the new N-phosphinylureas

N. Dorosti, N. Dorosti, F. Molaei and K. Gholivand

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Structural characterization of Mo₃Fe(NO)S₄ cubane-type clusters with different electron populations

I. Sorribes, R. Llusar, C. Vicent, F. Lloret and V. Polo

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Effects in the atomic structure of BaFe₂As₂ by pressure and chemical substitution

E. M. Bittar, E. Granado, L. Mendonça-Ferreira, F. Garcia, G. de M. Azevedo, C. Adriano, T. M. Garitezi, L. F. Bufaiçal and P. G. Pagliuso

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Anisotropy in anomalous scattering in TiO₂ and the influence of point defects

C. Richter, M. Zschornak, D. Novikov and D. C. Meyer

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The structure and X-ray absorption spectrum studies of Mn and N Co-doped ZnO

H. H. Hsieh, N. Niu, C. H. Chen, M. D. Lan and H. F. Huang

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XRD and dual elemental XAFS analyses of inorganic solids

M. E. Montero-Cabrera, L. E. Fuentes-Cobas, E. Macías-Ríos, J. Soto-Nuñoz, M. García-Guaderrama, M. E. Fuentes-Montero, E. Morán and M. A. Alario-Franco

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NMR crystallography applied to dicarboxylic acids

P. Ochsenbein and M. El-Hajji

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Crystal structures of an enzyme duo involved in bacterial cell wall recycling

D. Das, M. Hervé, D. Mengin-Lecreulx, A. Deacon and I. A. Wilson

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Structure determination of HP0902, a putative secretory protein from H. pylori

D.-W. Sim, S.-H. Lee, W. C. Lee, J. H. Song, H.-Y. Kim and H.-S. Won

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Primer design for cDNA synthesis based on the crystal structure

N. Shibata, T. Inoue, Y. Higuchi and Y. Kai

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Strategies for analysis expression and protein solubility

P. Fernández-Millán, A. Rubio-Cosials, N. Jiménez-Menéndez, C. Silva-Espiña and M. Solà

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Community nominated projects at the Joint Center for Structural Genomics

Q. Xu, A. Deacon and I. A. Wilson

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X-ray fluosescence tool for rapid in-house evaluation of heavy atom derivatives

T. Matsumoto and A. Yamano

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The Joint Center for Structural Genomics

M. A. Elsliger, A. M. Deacon, A. Godzik, S. A. Lesley, K. O. Hodgson, J. Wooley, K. Wüthrich and I. A. Wilson

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ARCIMBOLDO goes super: ab initio phasing on the supercomputer Calendula FCSCL

I. Usón, D. R. Martínez, M. Sammito, K. Meindl and I. M. de Ilarduya

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Accelerating ab initio phasing with de novo models

K. Y. J. Zhang, R. Shrestha and F. Berenger

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Structure analysis of two-dimensional membrane proteins using X-ray powder diffraction data

R. A. Dilanian, C. Darmanin, J. N. Varghese, S. W. Wilkins, T. Oka, N. Yagi, H. M. Quiney and K. A. Nugent

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Towards more complete models in macromolecular crystal structure determination

T. Wiegels, M. Biasini and V. Lamzin

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SHELXLE – a Qt GUI for SHELXL

C. B. Huebschle, G. M. Sheldrick and B. Dittrich

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Incorporation of the quantum chemical package DivCon into the PHENIX suite

O. Borbulevych, K. M. Merz Jr and L. M. Westerhoff

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OLEX2 – a complete package for molecular crystallography

H. Puschmann, L. J. Bourhis, O. V. Dolomanov, R. J. Gildea and J. A. K. Howard

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Full matrix refinement with the small molecule toolbox

L. Bourhis, O. Dolomanov, R. Gildea, J. Howard and H. Puschmann

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On the refinement of routine single crystal X-ray data only to mimic single crystal neutron structural results

W. F. S. Szklarz, A. Hoser and K. Woźniak

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On a method for the absolute scaling of refined atomic B factors

H. Botti, L. Bonilla, F. Trajtenberg, R. Radi and A. Buschiazzo

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Improving molecular replacement solutions with SHELXE

A. Thorn and G. M. Sheldrick

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New approach to structure determination: envelop-based phase extension

W. Zhang, H. Zhang and Q. Hao

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BORGES a tool to generate customised, secondary structure libraries for phasing

M. Sammito, D. R. Martínez, K. Meindl, I. M. de Ilarduya and I. Usón

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New features in ARCIMBOLDO: a tutorial

D. D. R. Martínez, M. Sammito, I. M. de Ilarduya, K. Meindl and I. Usón

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CCP4 6.2 – new and enhanced software for protein crystallography

R. Keegan, C. Ballard, E. Krissinel, D. Waterman and M. Winn

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A trigonometric minimum model for refinement

R. W. Grosse-Kunstleve, L. Bourhis and P. D. Adams

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Fragment-based interpretation of crystallographic low-resolution electron-density maps: a case study

S.-Y. Ku and T. R. Schneider

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Advances in the ab initio VLD phasing algorithm

M. C. Burla, B. Carrozzini, G. L. Cascarano, C. Giacovazzo and G. Polidori

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Macromolecular high-resolution data evaluated by invariom refinement

K. Pröpper, J. J. Holstein and B. Dittrich

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MAIN 2011: refining against all diffraction data – free of R-free

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Automatic identification of alpha-helices in Patterson maps

G. L. Cascarano, R. Caliandro, D. Dibenedetto, G. Nico and A. Mazzone

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Structural and computational analysis of 3,6-dioctyloxiphenyl-2,5-dimethyl-1,4-diketopyrrolo[3,4-c]pyrrole-1,4-dione

B. Şen, R. Sevinçek, S. Çelik, M. Aygün and S. Alp

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Automatic structure determination for small molecule crystallography

H. Kanda, T. Higashi and M. Maeyama

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Partial observations, partial models and partial residuals in least-squares refinement

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Polyiodide salts of thioamides

A. Owczarzak, S. K. Hadjikakou and M. Kubicki

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Anion⋯π, lone pair⋯π, and F⋯F interactions in nucleobase derivatives

E. Molins, I. Mata, A. García-Raso, M. Barceló-Oliver, F. M. Albertí, J. J. Fiol, Y. Lagos, M. Torres, A. Terrón, C. Estarellas, A. Frontera, D. Quiñonero and P. M. Deyà

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Supramolecular assembly of hetero-halogen (F⋯X) or homo-halogen (X⋯X, X = F, Cl, Br, and I) interactions in substituted benzanilides

S. K. Nayak, M. K. Reddy and T. N. Guru Row

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Halogen bonding towards assembling phosphorescent cocrystals and probing specific solvent effect

W. J. Jin, Q. J. Shen, H. Q. Wei and H. L. Sun

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Reversible order-disorder phase transition in a new polymeric metavanadate: {[Zn(Im)₄][V₂O₆]}_n

S. Krachodnok, K. J. Haller and I. D. Williams

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Structural complexity for the series [Ni(H₂O)₂(15C5)](X)₂ (X = BF₄⁻, NO₃⁻, HSO₄⁻)

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Controlled mechanochemical synthesis. Relating chemistry to crystal structures

I. A. Tumanov, A. F. Achkasov, E. V. Boldyreva and V. V. Boldyrev

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Interaction of the components in {Tb,Dy}-Fe-In systems at 600°C

M. Demchyna, B. Belan and A. Gagor

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Preliminary neutron powder diffraction analysis of a meta-stable colored form in photochromic crystal using iMATERIA in J-PARC

T. Hosoya, A. Hoshikawa, K. Iwase and T. Ishigaki

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Model iridium phosphine compounds for use in olefin hydroformylation

I. Engelbrecht, H. G. Visser and A. Roodt

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Structural studies of SrTcO₃, CaTcO₃ and Pb₂Tc₂O_7−d

G. J. Thorogood, B. J. Kennedy, M. Avdeev, J. Ting, Z. Zhang and M. L. Carter

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The 'organic fluorine' in action in the construction of organometallic molecular materials

A. Crispini, I. Aiello, M. Ghedini, T. Mastropietro, A. Aprea, D. Pucci, M. L. Deda, M. Amati and F. Lelj

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Addressing structure solution challenges from light-atom clathrates with very large Z′

J. L. C. Rowsell, M. Zeller and C. F. Campana

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X-ray structure-cytotoxicity relationship of the 6-deoxyclitoriacetal derivatives

T. Teerawatananond, N. Ngamrojnavanich, P. Sompornpisut and N. Muangsin

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Synthesis, crystal structure and properties of [Be(H₂O)₄][UO₂(CH₃COO)₃]₂

V. V. Klepov, L. B. Serezhkina, A. V. Vologzhanina and V. N. Serezhkin

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Synthesis and structure of uranyl complexes with n-butyrate and n-valerate ions

A. V. Savchenkov, A. V. Vologzhanina, D. V. Pushkin, L. B. Serezhkina and V. N. Serezhkin

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Crystal structure of complexes of uranyl chromate with isomers of pyridinecarboxylic acid

S. A. Novikov, E. V. Peresypkina, A. V. Virovets, L. B. Serezhkina and V. N. Serezhkin

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Complexes containing coordination centre OSiC₃X (X = Cl, Br) based on N-organosulfonyl-2-aminoacids

N. A. Kovalchuk, A. A. Korlyukov and M. Yu. Antipin

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The influence of crystal packing on the structure of N-organosulfonyl-2-amino acid complexes containing OSiC₃F coordination unit

D. E. Arkhipov, A. A. Korlyukov and M. Yu. Antipin

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Crystal structure of [Cu₂(L)₂(H₂O)₂](SO₄)₂·2H₂O (L = pyridoxal thiosemicarbazone)

M. V. Rodić, V. M. Leovac, L. S. Vojinović-Ješić and V. I. Češljević

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Incorporation of different lithium aluminates to titanium oxide organometallic ligands

A. Hernán-Gómez, A. Martín, M. Mena and C. Santamaría

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Discrete role of chlorine substitutions in the conformation and supramolecular architecture of isostructural arylsulfonamides

W. B. Fernandes, A. Q. Aragão, F. T. Martins, C. Noda-Perez, C. Lariucci and H. B. Napolitano

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Double deprotonation of functionalized aryl amines leading to new Ti(IV) imido derivates

L. M. Aguirre, M. de los Ángeles Dávila, M. E. G. Mosquera and P. Gómez-Sal

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X-ray diffraction studies of monocyclopentadienyl cyclometalated aryl tantalum(V) compounds

C. García, A. Galindo, M. Gómez, P. Gómez-Sal and A. Parra

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Isocyanide insertion processes into the oxonitrido [{Ti(η⁵-C₅Me₅)(μ-O)}₃(μ₃-N)]

A. Martín, O. González-del Moral, M. Mena and C. Santamaría

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The structure of one-dimensional ice, water nanowire, in crystal host

A. Wakahara and T. Ishida

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X-ray structure of methanol {E-N/-(2-hydroxybenzlidene)benzohydrazido}dioxidomolybdenum(VI)

I. Sheikhshoaie, B. Sheikhshoaie and N. Emamipour

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Polymeric manganese(II) complex with isophthalate ion and 2,2′-dipyridylamine

J. Rogan and D. Poleti

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Isonicotinic acid [1-(2,3-hydroxyphenyl)methylldene] hydrazide

N. Dege, E. Tecer and H. Batı

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Preparation and evaluation of anti-inflammatory potential of some sesquiterpene lactones: X-ray structure of psilostachyin

Rajnikant, R. Chib, B. A. Shah, A. Pandey, K. Kapoor, S. Bani, V. K. Gupta, V. K. Sethi and S. C. Taneja

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Crystal structures of novel CB[6] complexes with p-xylylenediammine derivatives

M. Botoshansky, O. Reany and E. Keinan

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Layer-type supramolecular networks from rosette ribbons and bridging connectors

J. Han and T. C. W. Mak

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Crystal structures of hydrazinecarbothioamide derivatives

I. Wawrzycka-Gorczyca and A. Siwek

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Synthesis and conformational analysis of a Dcp-containing homooligopeptides

Y. In, T. Ishida, S. Fujioka, M. Takeda, T. Murashima and T. Yamada

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Novel Cu complexes of 1,2,4-triazole-3-thione derivatives

B. Miroslaw, M. Pitucha, M. Heliniak and A. E. Koziol

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X-ray study of structure of nitrosubstituted isoxazoles from the reaction of electrophilic alkenes and tetranitromethane-triethylamine

V. B. Rybakov, E. B. Averina and Y. V. Samoilichenko

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New titanium nitrido complexes from [{TiCp*(μ-NH)}₃(μ₃-N)] and methyltriflate

A. Pérez-Redondo, J. Caballo, M. Mena and C. Yélamos

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Crystal structure of a carbacylamidophosphate organotin compound

S. Farshadian, K. Gholivand, F. Molaei and Z. Hosseini

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2-Chloro-N-[4-(dimethylamino)benzylidene]-N-[4-(3-methyl- 3-phenylcyclobutyl)-1,3-thiazol-2-yl]acetohydrazide

E. İnkaya and M. Dinçer

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New copper(I) polymers assembled by dithioether ligands

M. M. Kubicki, Y. Rousselin, M. Knorr and F. Guyon

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Preparation and crystal structure lead(II) coordination polymers with pyridine-2,3-dicarboxylic acid

M. Tabatabaee, S. Tabatabaee, M. Dusek and M. Pojarova

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Substituent effects in the structural parameters of the sydnone ring

D. A. Grossie, K. Turnbull and L. Harrison

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Structural aspects of new n-heterocyclic carbene-rhodium catalysts

R. Sancho, A. D. Giuseppe, R. Castarlenas, F. J. Lahoz and L. A. Oro

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Molecular iodine trapped as alternating layers with amphiphilic salts

A. Peuronen, M. Lahtinen and J. Valkonen

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Crystal structure of PrAgAlGe_3−x

R. Kozak, L. Akselrud, A. Pietraszko and R. Gladyshevskii

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Synthesis and crystal structure of mer-[Co(C₈H₄O₄)(C₃H₄N₂)₃(H₂O)₂] H₂O

A. Benkanoun, F. Balegroune, A. Guehria-Laidoudi, S. Dahaoui and C. Lecomte

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Polymorphic crystallization and kinetic pathways of triacylglycerols

L. Bayés-García, T. Calvet, M. A. Cuevas-Diarte, S. Ueno and K. Sato

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Conformational polymorphism and order-disorder phase transition in enalapril-Zn complex

M. C. de Souza, C. H. J. Franco, C. B. Pinheiro and R. Diniz

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A thallium intermediate compound trapped in a crystal and its SCSC evolution

M. Tomás, L. Falvello and G. Martínez

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Di- and tetranuclear zinc(II) complexes of a new ditopic-hydrazone ligand

S. Rodríguez-Hermida, A. B. Lago and R. Carballo

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Porous supramolecular compounds based on paddle-wheel shaped copper(II) adenine entities

P. Román, J. Thomas-Gipson, G. Beobide, O. Castillo, J. Cepeda, M. Lanchas, A. Luque, S. Pérez-Yáñez and D. Vallejo-Sánchez

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cRy: a crystallographic toolbox in R

D. G. Waterman, J. Foadi and G. Evans

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Linear transformations of variance/covariance matrices

P. Parois and M. Lutz

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Atomic-scale electron microscopy and spectroscopy of AlMnPd quasicrystal

E. Abe, T. Seki, H. Sawada, E. Okunishi, Y. Kondo and K. Takayanagi

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Effect of Ti addition on the hydrogen storage properties of nanoquasicrystal-glass composites in (Zr_69.5Al_7.5Cu₁₂Ni₁₁)_100−xTi_x alloys

R. S. Tiwari, D. Singh, R. R. Shahi and O. N. Srivastava

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Ion beam analyses of Al(Si)-Cu-Fe approximant thin films

S. Olsson, J. Jensen, F. Eriksson and L. Hultman

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Structural transformation in Al-Fe-Cu-Mn one-dimensional quasicrystals

T. P. Yadav, N. K. Mukhopadhyay and O. N. Srivastava

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Structural characterization of highly defective Al-Pd-Fe crystalline approximant

W. Sun, J. P. Wang and Z. Y. Liu

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Structure of quasicrystals – scaling in real and reciprocal space

J. Wolny, B. Kozakowski, P. Kuczera and R. Strzałka

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To the model of a decagonal Al-Cu-Co

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Physical properties of the Cd₆R 1/1 approximants

T. Hiroto, Y. Muro, H. Yaguchi, M. Tokunaga, T. Takabatake and R. Tamura

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Synthesis of single-grained Zn₈₈Sc₁₂ quasicrystal and its electrical resistivity

K. Noguchi, S. Kawanishi, K. Nishimoto and R. Tamura

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Dislocation mobility in icosahedral quasicrystals

G. N. Lazareva and A. S. Bakai

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Structural characterization of thin AlPdRe quasicristalline film formation during annealing process

A. Yu. Seregin, I. A. Makhotkin, S. N. Yakunin, D. S. Shaitura, M. B. Tsetlin, E. Yu. Tereschenko and M. V. Kovalchuk

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Multiple diffraction in icosahedral and decagonal quasicrystal

C. Fan, T. Weber and W. Steurer

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Localization of current states in one-dimensional aperiodic structures

P. Yu. Korotaev, Yu. Kh. Vekilov and N. E. Kaputkina

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In situ TEM study of the order-disorder phase transition in Cd₆M approximants at low temperature

K. Nishimoto, T. Sato, Y. Kamimura, K. Edagawa and R. Tamura

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Decagonal phases in Al-Ni-Rh system

D. Logvinovich and W. Steurer

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Extremely long-period 1d stacking polytypes in Al₁₃Co₄

T. Seki and E. Abe

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Application of average unit cell concept to three-dimensional Amman-Kramer tiling

R. Strzałka, B. Kozakowski, P. Kuczera and J. Wolny

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Multidimensional paperfolding substitution structures

D. Shapira, S. I. Ben-Abraham and A. Quandt,

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SWAXS analysis on some quasicrystal formations

C. Tükel, E. Şen, S. İde, M. Erbudak and A. Vercin

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Theoretical study for pseudomorphic growth on Ag-In-Yb quasicrystal surface

K. Nozawa and Y. Ishii

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Simulated STM images for surface of Ag-In-Yb cubic approximant

N. Tanaka, K. Nozawa, M. Shimoda and Y. Ishii

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Icosahedral and approximant phases in (Al,Ga,In)-Pd-(rare earth metal) systems

Y.-G. So, F. Saruhashi, K. Edagawa and R. Tamura

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Adsorption of pentacene on quasi-periodic surfaces

K. Young, J. Smerdon, H. R. Sharma and R. McGrath

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Structure solution of decagonal ZnMgDy quasicrystal

T. Örs and W. Steurer

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Analysis of structure and chemical order in a ternary Yb₁₂Mg₅₂Cd₃₆ quasicrystal

C. P. Gómez, H. Takakura, A. Yamamoto and A. P. Tsai

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Ab initio calculations on the stability of heptagonal ordering in gallium

H. Orsini-Rosenberg, S. Deloudi and W. Steurer

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A novel structure: PSPC1/NONO heterodimer, members of the DBHS protein family

D. M. Passon, M. Lee, A. H. Fox and C. S. Bond

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Structural basis of inhibition mechanism by carrot EDGP against endoglucanase

T. Yoshizawa, T. Shimizu, H. Hirano, M. Sato and H. Hashimoto

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Architecture of the mediator head module

T. Imasaki, G. Cai, K.-L. Tsai, K. Yamada, I. Berger, F. J. Asturias and Y. Takagi

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Substrate fingerprint and the structure of NADP+ dependent serine dehydrogenase from Saccharomyces cerevisiae complexed with NADP+

C. M. Pacheco, R. Huether and W. L. Duax

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Transcriptional activator DmpR – combining biocrystallography and bioinformatics

U. H. Sauer, J. Wolf, G. Stier, C. Grundström and V. Shingler

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Crystal structure of archaeal cambialistic superoxide dismutase

T. Nakamura, K. Torikai, J. Morita, Y. Kawata and K. Uegaki

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ON and OFF states of reversibly phoswitchable fluorescent protein rsTagRFP

S. Pletnev, F. V. Subach, Z. Dauter, A. Wlodawer and V. V. Verkhusha

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Structural basis of different substrate preferences of yeast old yellow enzymes

S. Horita, M. Kataoka, N. Kitamura, T. Miyakawa, J. Ohtsuka, K. Nagata, S. Shimizu and M. Tanokura

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Stabilization of a full A-T hairpin oligonucleotide

F. Acosta-Reyes, J. A. Subirana and J. L. Campos

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Crystal structures of two CBSX proteins from Arabidopsis thaliana

B.-C. Jeong, K. S. Yoo, J. S. Shin and H. K. Song

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Structural and functional studies of the active sites in four glycoside hydrolase β-jellyroll families

L.-C. Tsai and F.-Y. Hsu

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Crystal structures of symbiosis related lectin and its saccharide bound form

A. Kita, M. Jimbo, Y. Morimoto, R. Sakai, H. Kamiya and K. Miki

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Interface plasmon in pseudo one-dimensional Si/SiO₂ core-shell nanostructures by electron energy loss spectroscopy

Q. Li, J. Wang, M. Chu and M. Malac

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Radiation damage and electron energy loss spectroscopy of Au particles on amorphous Ge substrates

M. Malac, R. Egerton and J. Wang

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Molecular spin crossover – what can pressure reveal?

H. J. Shepherd, G. Molnár, P. Guionneau, P. Rosa and A. Bousseksou

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Reversible structural modulation and magnetic properties in a Co-based SMM

L. R. Falvello, J. Campo, E. Forcén-Vázquez, I. Mayoral, F. Palacio, C. S. de Pipaón and M. Tomás

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Semiconducting triindoles: crystallographic packing versus electrical performance

B. Gómez-Lor, C. Ruiz, A. Monge, E. Gutierrez-Puebla and E. M. G. Frutos

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Solid state transformation in coordination polymers with flexible ligands

M. Giménez-Marqués, G. M. Espallargas and E. Coronado

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New molecular conductors with halogen substituted cobalt bis(dicarbollide) anions

O. Dyachenko and O. Kazheva

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Solvent-tuned magnetic behaviors of manganese(III) corroles

M. Ding, B. Wang, Z. Wang, J. Zhang, O. Fuhr, D. Fenske and S. Gao

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Multifunctional Gd^III₅-core nanoparticles directed by alkylnitrosopyrazolones

J. Pasán, J. Belmar, J. Quezada, C. A. Jiménez, F. Lahoz, A. Hernández-Creus, M. Julve and C. Ruiz-Pérez

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Synthesis and structural characterization of [H₃N(CH₂)₄NH₃]Y[hedpH][hedpH₂]

E. Fernández-Zapico, J. Montejo-Bernardo, J. R. García and S. García-Granda

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Elaboration of nanoporous hydrogen-bonded metal-organic frameworks (MOF)

C. Duhayon, G. Mouchaham, N. Roques and J. Pascal-Sutter

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Electrochemical and photophysical sensors derived from biphenyl. Structural studies

K. Chulvi, A. M. Costero, R. Andreu, L. E. Ochando and R. Pou-Amérigo

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Molecular arrangement and magnetic properties of O₂ in the nanoporous materials

Y. Kubota, A. Hori, T. C. Kobayashi, R. Matsuda, K. Kindo, K. Kato, M. Takata and S. Kitagawa

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Dynamic CuCl₂-(1,4-dioxane)-H₂O crystal

Y. Zhang, B. Zhang and D. Zhu

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Electronic structures in the triplet states of polypyridine iridium(III) complexes

N. Yoshikawa, S. Yamabe, N. Kanehisa and T. Inoue

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Oxalate-based compounds with 2d and 3d structures showing coexistence of spin-crossover and ferromagnetism

M. López-Jordà, M. Clemente-León and E. Coronado

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An enantiopure Fe^III₄ single molecule magnet

S. Gao, Y.-Y. Zhu, X. Guo, C. Cui, B.-W. Wang and Z.-M. Wang

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Crystal structures and NLO properties of quinoline derivatives

P. S. P. Silva, H. El Ouazzani, M. R. Silva, J. A. Paixão and B. Sahraoui

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Distortion of the charged C₆₀ fullerene cage in the ionic complexes

S. Khasanov, D. Konarev, A. Kuzmin, S. Simonov and L. Zorina

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Low dimensional Cu(II) complexes

M. R. Silva, C. Yuste-Vivas, A. Magalhães, L. C. J. Pereira, J. Coutinho and J. A. Paixão

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Effect of low Sr-Ba on the transport and magnetic behaviour of La_0.67Ca_0.33MnO₃

M. Krishnaiah and B. Munirathinam

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Classification of stacking interaction geometries of terpyridyl complexes

J. Andric, G. Janjić, A. Kapor, Z. D. Bugarčić and S. D. Zarić

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Structural studies of N₄O₂ iron(II) spin crossover complexes

M. Fuentealba, A. A. Goeta, M. R. Probert and A. R. Whiting

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Extending the concept of half antiperovskites

J. Rothballer, F. Pielnhofer, F. Bachhuber and R. Weihrich

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Phase and spin transition in the spin crossover compound [Fe(dpp)₂(NCS)₂]·py

M. Zubko, J. Kusz, A. Fitch and P. Gütlich

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Novel compounds based on malonate derivatives and 4,4′-azobispyridine

I. Hernández-Rodríguez, M. Déniz, J. Pasán, O. Fabelo, L. Cañadillas-Delgado, C. Yuste and C. Ruiz-Pérez

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Influence of the substituent in the coordination chemistry of R-malonates

M. Déniz, J. Pasán, I. Hernández-Rodríguez, O. Fabelo, L. Cañadillas-Delgado, M. Julve and C. Ruiz-Pérez

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Veblenite: a new Ti-silicate related to HOH structures

F. Cámara, E. Sokolova, F. C. Hawthorne, R. Rowe, J. Grice and K. Tait

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Hybrid inorganic–organic layered crystals constructed by oxide clusters and surfactant

T. Ito, K. Mikurube, K. Hasegawa, M. Kurasawa, H. Naruke and T. Ozeki

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Intercalated transition metal dichalcogenides at different temperatures

S. K. I. Ali, S. van Smaalen, S. Zoerb and B. Harbrecht

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Thermal studies of ammonium-cobalt-nickel phosphates, NH₄[Co_1−xNi_xPO₄]·H₂O

L. Torre-Fernández, C. Trobajo, J. R. García and S. García-Granda

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Solvent-dependent two-dimensional coordination networks of CuI and bridging triazolopyrimidines

M. Quirós, A. B. Caballero, A. Rodríguez-Diéguez, J. Vieth, C. Janiak and J. M. Salas

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Novel perovskite-like compound with crystallographic shear structure in the Pb-Ba-Fe-Sn-O system

O. E. Korneychik, M. G. Rozova, A. M. Abakumov, M. M. Batuk, K. V. Pokholok, D. S. Filimonov and E. V. Antipov

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Sn₁₂In₁₉(Se,S)₄₁ and the M_15+NS_20+N sliding series of complex In sulfides

E. Makovicky and D. Topa

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Ordering in lead-antimony oxide halides upon variation of chemical composition

A. A. Sadybekov and D. O. Charkin

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Synthesis and structure of two new layered silicate hydrates, RUB-52 and RUB-53

B. Marler, Z. Li, G. Wang and H. Gies

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Distribution of K⁺ and M⁺ ions in the alkali layer of (K⁺,M⁺)-β-ferrite (M: Rb, Na)

H. Watarai, K. Fujimoto and S. Ito

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Structural analysis of a new complex containing tetrapropionatodirhodium units

M. R. Torres, P. Amo-Ochoa, R. Jiménez-Aparicio, J. Perles and F. A. Urbanos

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Low temperature form of layer silicate RUB-15-LT, [Si₂₄O₄₈(OH)₈][N(CH₃)₄]₈*20H₂O

H. Gies and B. Marler

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Large two-dimensional PSD for neutron single crystal structure analysis

Y. Noda, Y. Ishikawa, C. H. Lee, S. A. Kim and M. K. Moon

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Data correction of a novel CMOS detector

J. Kaercher, M. Ruf, R. D. Durst and G. Wachter

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Development of software for a new time-of-flight single crystal diffractometer SENJU at J-PARC

T. Ohhara, K. Oikawa, I. Tamura, K. Kaneko, R. Kiyanagi, T. Kawasaki, A. Nakao, T. Hanashima, K. Munakata, T. Nakatani, Y. Inamura, T. Ito, M. Takeda, D. Yamazaki and H. Hayashida

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Developments for upgrades of two-dimension scintillator detector system, data acquisition electronics and software for J-PARC

T. Hosoya, T. Nakamura, M. Katagiri, M. Ebine, A. Birumachi, K. Kusaka, K. Tomoyori, T. Yamada, T. Yokoyama, T. Ohhara, K. Kurihara, N. Niimura, I. Tanaka and K. Soyama

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Robust, automated detection of defects in direct images of periodic structures

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Novel combination of 3DXRD and grain boundary tracking for mapping polycrystaline Al-alloys

D. J. LeClere, Y. Ohkawa, H. Toda, M. Kobayashi, Y. Suzuki, A. Takeuchi and K. Uesugi

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Masquerade: improving data quality with masks for beryllium rings

J. A. Coome, A. E. Goeta, J. A. K. Howard and M. R. Probert

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X-ray-induced cooperative atomic movements in protein crystals

T. Petrova, S. Ginell, A. Mitschler, Y. Kim, V. Y. Lunin, G. Joachimiak, A. Cousido-Siah, I. Hazemann, A. Podjarny, K. Lazarski and A. Joachimiak

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Characterization of radiation damage in macromolecular crystals at cryo and room temperature

R. M. F. Leal, S. Russi, G. P. Bourenkov and A. N. Popov

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Potential of UV in phasing and its implementation for crystal centering at PF

L. M. G. Chavas, Y. Yamada, M. Hiraki, S. Okazaki, N. Igarashi, N. Matsugaki and S. Wakatsuki

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MX radiation damage and swept volumes: improvements in dose estimation

O. B. Zeldin and E. F. Garman

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X-ray induced photoreduction of cobalamins

D. Heintz, M. Nachtegaal, A. Burkhardt, E. Weckert and A. Meents

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Phasing selenomethionine proteins using UV induced radiation damage

S. Panjikar and D. de Sanctis

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Crystal structures of two archaeal Pelotas reveal inter-domain structural plasticity

H. H. Lee, J. Y. Jang, H.-J. Yoon, S. J. Kim and S. W. Suh

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Structural studies on piRNA recognition by mammalian PIWI-like Argonaute proteins

G. Virgili, I. Varlan, K. Illes and B. Nagar

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Optimal fine φ slicing for single photon counting pixel detectors

M. Mueller, M. Wang and C. Schulze-Briese

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Cases of twinning at the Joint Center for Structural Genomics

M. D. Miller, H. L. Axelrod, H.-J. Chiu, D. Das, A. Kumar, C. B. Trame, H. van den Bedem, Q. Xu and A. M. Deacon

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Advances in the CRANK software suite for automated crystal structure solution

W.-J. Waterreus, P. Skubák, I. Sikharulidze, J. P. Abrahams, R. A. G. de Graaff and N. S. Pannu

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Novel approach to automatic scoring of protein drop images using UV fluorescence

M. Petersen, C. Boarman, G. Mullen, M. Mickley and M. Willis

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Fully automated cryogenic crystal screening system

M. Ruf, J. Kaercher and M. M. Benning

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New tools for biological crystallography in the home lab

M. Biadene and M. Benning

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Graphical user interface for automated crystallography data reduction

D. Sneddon, G. Winter and A. Ashton

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Readiness evaluation method for X-ray difraction data collection systems

W. Ding and Z. J. Liu

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New version of CrysAlisPro optimized for automatic macromolecular data collection and processing

T. Skarzynski, M. Meyer and P. Stec

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Fluorine determines the aggregation of pyridines. Experiment versus theory

V. Vasylyeva, K. Merz and O. V. Shishkin

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TMA alcohol solvates: filling the gaps and increasing the dimensionality

M. R. J. Elsegood and S. H. Dale

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Hydrogen bonding, Z′ and stability of diclofenac amine salts

C. H. Schwalbe, M. Ramirez, B. R. Conway and P. Timmins

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Halogen interactions using variable temperature single crystal X-ray diffraction

A. R. Choudhury, P. Panini, G. Kaur and D. Chopra

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Subtle interplay of hydrogen bonds and weak interactions in drugs

M. Karanam and A. R. Choudhury

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Geometry of C—H⋯O interactions: case of aromatic CH donors

D. Z. Veljković, G. V. Janjić, V. B. Medaković and S. D. Zarić

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Synthesis, structural characterization and hydrogen bond of new hybrid compound based on indium

S. Bouacida, R. Belhouas, B. Fantazi, C. Boudren and T. Roisnel

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Effect of the anion on cation chain geometry in hexamethylenediammonium salts

C. Arderne and G. J. Kruger

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New hybrid compound based on fluorosilicate with complex hydrogen-bonding scheme

R. Belhouas, S. Bouacida, C. Boudren and J.-C. Daran

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D—H⋯X contacts performed by N-heterocycles: a practical view

Yu. Sun and W. R. Thiel

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Structural investigation of phenol-phosphonic amides

C. A. Renison, D. B. G. Williams, A. J. Muller and S. J. Evans

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How many molecules can you crystallize in one experiment? The role of hydrogen bonding in chalcone-flavanone isomerization

M. Rossi, M. Duong and F. Caruso

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The hydrogen bond in supramolecular network

M. Flores-Alamo, A. L. Maldonado-Hermenegildo and H. Gómez-Ruiz

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Structural analysis of aziridine-2-methanol derivatives

A. Falcicchio, A. Altomare, C. Cuocci, R. Luisi, A. Moliterni and R. Rizzi

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Proton migration in molecular complexes of urea and its derivatives

A. O. F. Jones, L. H. Thomas, G. J. McIntyre and C. C. Wilson

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Design and control of hydrogen bonding in DMAN proton sponge complexes

A. A. Kallay, L. H. Thomas, D. A. Keen and C. C. Wilson

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Organic and inorganic halogens as HB acceptors in halopyridine complexes of Cu^II

Z. Popović and M. Ðaković

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Structural systematics of fluoro-N-(pyridyl)benzamides and related isomer grids

P. Mocilac and J. F. Gallagher

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Analysis of ethyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl) prop-2-enoate

C. Lariucci, L. Malaspin, W. Fernandes, J. Silva, G. Aquino and H. Napolitano

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X-ray structure of 4-methoxybenzylideneamino-5-substituted triazole derivative

H. C. Devarajegowda and M. Vinduvahini

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Crystal structure of N-(4-heptylphenyl)acetamide

S. Jeyaseelan, M. Vinduvahini and H. C. Devarajegowda

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X-ray structure of poly substituted 1,2-dihydropyridine derivative

M. Vinduvahini, S. Jeyaseelan and H. C. Devarajegowda

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Conformational adaptations of a versatile podand

I. Ðilović, K. Užarević, M. Cindrić and D. Matković-Čalogović

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Recent advances in two-dimensional X-ray diffraction

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Nullification of extinction effects in XRD analysis

I. Tomov and S. Vassilev

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Microstructural characterization of polycrystalline materials using a X-ray single-crystal diffractometer equipped with an area detector

A. B. Rodríguez-Navarro and P. Alvarez-Lloret

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To deuterate or not? That is the question

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Determining single-crystal elastic constants from neutron powder diffraction

J.-F. Zhang, E. H. Kisi, C. J. Howard and O. Kirstein

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Morphotropic phase transition in a lead-free system (1−x)NaNbO₃-xCaTiO₃

S. Tripathi, S. K. Mishra, P. S. R. Krishna, N. P. Lalla and D. Pandey

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Structural characterization of Tm:Lu₂O₃ nanocrystals for laser ceramics

E. W. Barrera, M. C. Pujol, C. Cascales, J. J. Carvajal, X. Mateos, M. Aguiló and F. Díaz

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Structural elucidation of functional MOFs using powder X-ray diffraction

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Particle statistics in φ- and ω-scan powder diffraction intensity measurements

T. Ida, T. Goto and H. Hibino

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A new mechanism of negative thermal expansion in an interpenetrated framework material

Y. Wu, V. K. Peterson and C. J. Kepert

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Advances in Guinier-type powder diffraction

H. Borrmann, R. Dietsch, T. Holz, S. J. H. Griessl and N. Huber

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Real-time behaviour of crystallizing cocoa butter. Time-resolved SAXS-WAXS study

H. Schenk, J. B. van Mechelen and R. Peschar

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Crystal structure of monoclinic Sr_2.4Ca_0.6Al₂O₆

J. A. Kaduk, W. Wong-Ng and J. T. Golab

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Grafting lactic acid on calcium-zinc hydroxyapatite surface

D. Mongi, T. Thouraya and A. Abdallah

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Fonctionnalisation of calcium-zinc hydroxyapatite by tartaric acid

T. Thouraya, A. Abdallah and D. Mongi

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How to deal with multiple solutions in powder pattern indexing

R. Heinemann, D. Stöckelmann and H. Kroll

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XRD and SAXS studies applied to doped polyaniline and poly(o-methoxyaniline)

E. Ap. Sanches, J. C. Soares, G. Trovati and Y. P. Mascarenhas

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The magnetic ordering in Mn₃TeO₆ and Co₃TeO₆

R. Tellgren, S. Ivanov, P. Nordblad, R. Mathieu, C. Ritter and G. André

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Thermal decomposition of ternary layered hydroxides

S. B. P. Farias, L. H. Chagas, S. S. X. Chiaro, A. A. Leitão and R. Diniz

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The reordering transition in layer disordered solids: rare earth-transition metal intermetallic

A. Pentón-Madrigal, E. Estevez-Rams, J. C. Somarriba and S. R. Lora

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MEM analysis of electron-density distribution in apatites

O. V. Magdysyuk, R. E. Dinnebier, P. E. Kazin, M. A. Zykin, S. van Smaalen and J. Netzel

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Detour into two dimensions: a new method for powder structure solution

D. Xie, C. Baerlocher and L. B. McCusker

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Textural evolution of zinc alloys deformed by NECAE method

P. Rodrigues and R. E. Bolmaro

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Structural characterisation of fluorites and pyrochlores

J. L. Payne and I. Radosavljevic Evans

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Expanded austenites studied by PXRD and EXAFS

K. Ståhl, J. Oddershede, T. L. Christiansen and M. A. J. Somers

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Crystal structure and non-linear properties of LaEr(MoO₄)₃

A. Aguirretxu-Comerón, M. C. Guzmán-Afonso, S. F. León-Luis, A. D. Lozano-Gorrín, E. Pérez-González and A. Hernández-Suarez

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Characterization of MOFs by single crystal and powder X-ray diffraction

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X-ray diffractometer with ellipsoidal multilayer mirror for convergent optics

G. Schuck, A. Iwata and T. Konya

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Investigation structural of the new solid solution series: Sr_10−xNd_x(PO₄)_6−x(SiO₄)_xF₂ (0 ≤ x ≤ 3) with Rietveld method

A. Hassine and K. Bouzouita

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Biodegradable polymer-clay nanocomposites

G. Punte, A. E. Bianchi, I. L. Torriani, P. Eisenberg, A. Botana, M. Mollo and R. M. T. Sanchez

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MEM electron-density study of NaGaH₄

N. Bindzus, H. Svendsen, M. Christensen, T. R. Jensen and B. B. Iversen

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Controlled annealing of nanocrystalline Y₂O₃

D. Z. Vojilslavljević and H. Borrmann

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Preparation and structural characterization of HFMOD-WO₃ thin films

J. Díaz-Reyes, J. Martínez-Juárez, E. Flores-Mena, M. Gutiérrez-Arias, M. Morín-Castillo and M. Galván-Arellano

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Atomic diffusion in liquid B₂O₃ under pressure from ab initio molecular dynamics

S. Ohmura and F. Shimojo

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Is there a phase transition between the two liquid states in tin tetraiodide?

K. Fuchizaki, N. Hamaya, Y. Katayama and T. Kikegawa

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Structure of liquid transition metal hydrogen alloys under high pressure

Y. Katayama, H. Saitoh and K. Aoki

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Experimental and DFT studies of (E)-1-((3-iodophenylimino)methyl)naphthalene 2-ol

T. Akbal, A. Erdönmez and A. A. Ağar

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Experimental and DFT computational study on hexaaquamagnesium(II) acesulfamate

G. Demirtaş, N. Dege, H. İçbudak, O. Yurdakul and O. Büyükgüngör

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Experimental and DFT studies of (2-hydroxyethyl) trihenylphosphoniumchloride

U. Ceylan, H. Tanak, E. Türkkan, O. Dereli and O. Büyükgüngör

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Experimental and computational study of (E)-2-[(4-iodophenyl)iminomethyl]-6-methylphenol

G. O. Tarı, U. Ceylan, M. Macit and S. Işık

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On differences in electron densities of phenoxazine and phenothiazine derivatives

M. Malinska, J. Nowacki, A. Kapturkiewicz and K. Wozniak

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DFT studies on stability and ordering of mixed dipnictide compounds

F. Bachhuber, J. Rothballer, F. Pielnhofer and R. Weihrich

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Mercury-ordering in Hg₃S₂Cl₂ polymorphs

F. Pielnhofer, F. Bachhuber, J. Rothballer and R. Weihrich

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Computational study with combined X-ray structure of dioxidomolybdenum(VI) compound

B. Sheikhshoaie and I. Sheikhshoaie

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Photoinduced conductivity change and structure transformation

K. Asakura, T. Miyamoto, T. Naito and Y. Kitajima

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Industrial applications at the National Synchrotron Light Source

J. Wang and V. Stojanoff

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The particular mechanisms of DNA recognition and dimerization of MITF

V. Pogenberg, M. Milewski, V. Deineko, A. Schepsky, E. Steingrimsson and M. Wilmanns

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Closer to eukarya: an updated view of the structure of the complete archaeal RNA polymerase

N. G. A. Abrescia, M. Wojtas, M. Mogni and S. D. Bell

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Transcriptional and translational regulation of cell differentiation

U. Heinemann, F. Mayr and A. Schuetz

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Structural studies of bacterial transcription regulator MerR-family protein

L.-Y. Lin, X.-W. Zou, C.-C. Huang and N.-L. Chan

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Allostery and disorder mediate transcription regulation by conditional cooperativity

A. Garcia-Pino and R. Loris

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Structural basis for DNA recognition and binding specificity by the transcription factor Ets2

Y. Suwa, T. Nakamura, S. Toma, T. Koga, T. Shuto, S. Ikemizu, H. Kai, H. Morioka and Y. Yamagata

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Crystal structure of the 5′ → 3′ exoribonuclease Xrn1

J. H. Chang and L. Tong

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Structure analysis of eukaryotic translation initiation factor complex 5B-1A

M. Yao, A. Zheng and I. Tanaka

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Structure of HetR, a master regulator of heterocyst differentiation

Y. Kim, G. Joachimiak, Z. Ye, T. A. Binkowski, R. G. Zhang, P. Gornicki, S. M. Callahan, W. R. Hess, R. Haselkorn and A. Joachimiak

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Structural biology of transcription factor CI by crystallography and small angle scattering

K. K. Rasmussen, K. Frandsen, M. Pedersen, L. Arleth and L. L. Lo

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C. albicans SerRSS: understanding the evolution of an ambiguous genetic code

S. Macedo-Ribeiro, R. Rocha, M. S. Santos and P. J. B. Pereira

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Structural and functional study of ComE, a key actor of S. pneumoniae competence

M. Boudes, D. Durand, M. Graille, A. Doizy, H. Van Tilbeurgh and S. Quevillon-Cheruel

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Full structure solution of aluminides using precession electron diffraction data

L. Meshi, Y. Krimer and S. Samuha

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The anion deficient perovskite-based homologous series A_nB_nO_3n−2

M. Batuk, J. Hadermann, A. Abakumov, O. Tyablikov and M. Rozova

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Electron crystallography based on inverse dynamic scattering

K. Scheerschmidt

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Automatic diffraction tomography (ADT) with precession on 6H-SiC and NiTe

E. Mugnaioli, E. Sarakinou, C. Lioutas, N. Vouroutzis, N. Frangis, U. Kolb and S. Nicolopoulos

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Huge unit cell Sr_64.1Bi_27.7Ni_8.2O_x solved by precession electron diffraction

H. Klein, M. Bacia, A. Rageau, P. Strobel and M. Gemmi

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Fourier images in coherent convergent beam electron diffraction and atomic resolution scanning transmission electron microscopy

C. Zheng and J. Etheridge

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'Transrotation' revealed by electron diffraction: perfect crystal in curved space

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Transmission electron microscopy studies on Bi_1/2Na_1/2TiO₃-Bi_1/2K_1/2TiO₃-K_0.5Na_0.5NbO₃ ceramics

L. A. Schmitt, E.-M. Anton, W. Jo, J. Trodahl, J. Jones, J. Rödel and H.-J. Kleebe

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The structure of CdSe and Au nanoparticle ensembles on carbon substrates

M. A. Zaporozhets, V. I. Nikolaichik, V. V. Volkov, D. A. Baranov, K. A. Dembo, S. N. Sul'anov, O. M. Zhigalina, S. P. Gubin, A. S. Avilov and I. I. Khodos

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Accurate structure factors of skutterudites: electron diffraction techniques

M. Buxhuku, O. Karlsen, J. Gjønnes, K. Gjønnes and V. Hansen

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Large-angle rocking-beam electron diffraction (LARBED)

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Structure analysis of charge-orbital ordered phases in A-site ordered SmBaMn₂O₆ using CBED

D. Morikawa, K. Tsuda, S. Yamada and T. Arima

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Electric field induced deformation in piezoelectric LiH₂PO₄ and LiH₂PO₃ crystals

M. Al Taani, S. Wagner, O. Schmidt, U. Pietsch and C. Lehmann

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Crystallographic analysis of xLi₂MnO₃·(1−x)LiMO₂ material for lithium batteries

L. Burlaka, J. Grinblat, F. Amalraj, M. Talianker, B. Markovsky and D. Aurbach

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Dynamic control of photochromic property in salicylideneaniline hydrate crystals

K. Johmoto, A. Sekine and H. Uekusa

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Control of photochromic reactivity in hybrid type cobaloxime complex

A. Sekine, S. Ina, H. Yamagiwa and H. Uekusa

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Photo-induced metastable low spin state in a iron(II) high-spin complex

C.-F. Sheu, C.-H. Shih, K. Sugimoto, B.-M. Cheng, M. Takata and Y. Wang

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Thermal and photocrystallographic studies on a nickel-nitro complex

L. Hatcher, M. Warren and P. Raithby

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Crystal structure and luminescence properties of lanthanide-containing organic complexes

L. Guénée, J.-F. Lemonnier, T. A. Wesolowski, S. Petoud and C. Piguet

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Flux growth of piezoelectric single crystals from the SiO₂-GeO₂ binary diagram

A. Lignie, P. Armand, G. Fraysse, J. Haines, P. Thomas and P. Papet

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Crystallographic and kinetic study of octa-coordinated hafnium(IV) complexes

J. A. Viljoen, H. G. Visser and A. Roodt

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Anion order in perovskite RTa(O,N)3 and pyrochlore R₂Ta₂(O,N)₇ where R = La, Ce, Pr

S. Porter and P. Woodward

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Diffuse scattering in substitutionally disordered perovskites

M. Paściak and R. Welberry

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Orbital ordering of Co³⁺ intermediate-spin state in RT ferromagnet Sr₃YCo₄O_10.5

H. Nakao, T. Murata, D. Bizen, Y. Murakami, K. Ohoyama, K. Yamada, S. Ishiwata, W. Kobayashi and I. Terasaki

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Total neutron scattering in the α-quartz type materials for piezoelectric applications

O. Cambon, G. Bhalerao, J. Haines, D. Keen and M. Tucker

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News on mullite and mullite-type compounds

R. X. Fischer, J. Birkenstock, A. Gaede-Köhler and H. Schneider

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Polymorphism in the quasi-one-dimensional quantum magnet, [Ni(HF₂)(pyz)₂]PF₆

S. H. Lapidus, J. L. Manson, K. E. Carreiro and P. W. Stephens

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Predicting switchable multi-ferroic Ruddlesden-Popper phases and phase transitions

C. Howard, M. Carpenter and E. Kisi

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Strontium incorporation in mullite-type Bi₂M₄O₉

T. M. Gesing, M. Schowalter, C. Weidenthaler, M. M. Murshed, A. Rosenauer, J.-C. Buhl, H. Schneider and R. X. Fischer

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Family of molecule-based magnets with M^II μ₄-TCNE sheets

P. W. Stephens, J.-H. Her, K. H. Stone, S. H. Lapidus and J. S. Miller

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Magnetoelastic effects in multiferroic YMnO₃ and HoMnO₃

T. Chatterji, B. Ouladdiaf, P. F. Henry and D. Bhattacharya

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Symmetry-mode analysis of the alumina phase diagram

S. Smith and B. Campbell

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Atomic scale description of the macroscopic piezo-ferroelectric properties of high-performance lead zirconate titanate (PZT)

J. Rouquette, M. Hinterstein, J. Haines, Ph. Papet, M. Knapp, J. Glaum and H. Fuess

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Fatigue mechanisms on the atomic scale in high-performance lead zirconate titanate (PZT)

M. Hinterstein, J. Rouquette, M. Knapp and H. Ehrenberg

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Phase transitions in modulated fresnoite phases for piezoelectric applications

S. Schmid and P. Allen

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Magnetism in defect-induced SiC single crystals

Y. Liu, G. Wang, S. Wang, W. Sun, X. Qin, B. Song, B. Wang and X. Chen

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The first rare-earth borophosphates

S. Hoffmann, S. Chen, D.-B. Xiong, Y. Zhou, M. Yang, H. Borrmann, Y. Prots, J.-T. Zhao and R. Kniep

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An Eu coordination polymer consolidated by 2,2′-biquinoline-4,4′-dicarboxylate

Y.-Y. Yang, Y.-M. Zhu and C.-H. Zeng

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Coordination driven and/or H-bonded M(II)-N,N-dialkylisonicotinamide networks

A. P. S. Pannu, G. Hundal and M. S. Hundal

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Five new metal–organic frameworks: novel topologies and characteristics

K. Davies, S. A. Bourne, L. Öhrström and C. L. Oliver

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Structural characterization of LaTi₂Al₉O₁₉

M. Kasunič, A. Meden, S. D. Škapin, D. Suvorov and A. Golobič

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Composition-dependent negative thermal expansion in tetracyanidoborate materials

J. J. Chadbourne, D. J. Price, V. K. Peterson and C. J. Kepert

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Surface modification of hydroxyapatite by grafting alkyl phosphonic dichloride

H. Agougui, A. Aissa and M. Debbabi

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An ab initio study of ZrO₂-HfO₂ solid solution with cotunnite structure

A. M. Goryaeva, V. L. Vinograd, B. Winkler, N. N. Eremin and V. S. Urusov

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Crystal structures and ultramicroporosity in Mg and Ca tetraphosphonate hybrids

R. M. P. Colodrero, A. C. Díaz, J. Rius, P. Olivera-Pastor, K. D. Demadis, D. Villemin and M. A. G. Aranda

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Crystal structures of new heteropolymolybdates with Waugh-type polyanion

A. Ivanova, A. V. Oreshkina, G. Z. Kaziev and M. K. Rabadanov

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Defect structure and ionic conductivity of Sr_1−xLa_xF_2+x (x = 0.1–0.5)

E. A. Sulyanova, D. N. Karimov, B. P. Sobolev and N. I. Sorokin

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New oxide-ion conductors with La₂Mo₂O₉ structure

E. Kharitonova, V. Voronkova, E. Orlova and D. Kolesnikova

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Structural and DNA binding studies of bipyridine-copper complexes

A. Kaewthong, M. Sukwattanasinitt and N. Muangsin

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In situ phase separation in bimetallic sulfates: a X-ray diffraction study

D. Swain, C. Narayana and T. N. Guru Row

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Structure and polymorphism of the La₂Mo₂O₉ compounds, doped with Bi, Sb and V

O. Alekseeva, N. Sorokina, N. Novikova, A. Gagor, A. Pietraszko, E. Kharitonova and V. Voronkova

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Synthesis, structure and properties of the Nd₅Mo₃O₁₆ fluorite-like compound

N. Sorokina, O. Alekseeva, N. Bolotina, E. Kharitonova and V. Voronkova

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Synthesis and structure of new vanadium(IV) complex based on isonicotinic hydrazide

M. Cocu, S. Shova, V. Gutium and I. Bulhac

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X-ray studies in a manganese lawsonate coordination polymer

M. M. P. Silva, M. Lanznaster, J. A. L. C. Resende and F. L. S. Bustamante

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Synthesis and investigation of double complex salts involving [AuHal₄]⁻ anions

E. Semitut, P. Plyusnin, I. Baidina, Y. Shubin and S. Korenev

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Assembly a new water-insoluble strontium metal–organic framework and its luminescent studies

C.-H. Lin, M.H.-K. Liu, J.-X. Zhan, W.-C. Lin, C.-C. Kao and S.-H. Lo

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Three-dimensional transition metal phosphate zeotypes: controlling dimensionality with chemical substitution

P. F. Henry, S. A. J. Kimber and D. N. Argyriou

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Optical properties of lanthanum-gallium tantalate crystals

N. S. Kozlova, O. A. Buzanov, I. S. Didenko, E. S. Kanaeva, A. P. Kozlova and N. A. Siminel

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Temperature dependent phase transition and topological classification of GdP₅O₁₄

A. J. Cramer and J. M. Cole

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Adsorption mechanism of nitrogen oxide on hollandite surface

K. Fujimoto, C. Yamakawa and S. Ito

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Substituents effect on molecular and crystal structures of phenyl ferrocenoylmethyl thioethers

J. L. Ferreira da Silva, M. T. Duarte, S. G. Harjivan, M. M. Marques and A. P. Ferreira

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A transmission electron microscopy study of the atomic structure of Na_1/2Bi_1/2TiO₃ (NBT)

Y. Zhang, L. Bourgeois, R. Withers and J. Etheridge

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Structural phase transitions in the Pb₂MnW_1−xRe_xO₆ perovskites

S. Lafuerza, J. García, J. Blasco, G. Subías, M. C. Sánchez and V. Cuartero

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Reversible phase transition of metal–organic framework by de/rehydration

H.-S. Sheu, W.-J. Shih, G.-H. Lee, C.-C. Yang and C.-C. Wang

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Origin of giant tetragonal lattice strain in (1−x)BiFeO₃-xPbTiO₃ system

K. Taji, C. Moriyoshi, Y. Kuroiwa, H. Moriwake, S. Bhattacharjee and D. Pandey

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Crystal structure of BaTiO₃-based ceramics in MLCCs under applied high voltage

Y. Kuroiwa, H. Ohkubo, C. Moriyoshi, N. Inoue and T. Okamoto

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Crystal structure of anion exchangeable Mg²⁺-Al³⁺ layered double hydroxides

C. Moriyoshi, Y. Matsuoka, H. Sato, R. Sasai and Y. Kuroiwa

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The low-temperature magnetic and structural properties of a new multiferroic GdFe₃(BO₃)₄

K. Frolov, I. Lyubutin, O. Alekseeva and I. Verin

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Structural properties of Gd(III) and Y(III) complexes with diimines and crotonate as bridging ligands

M. T. Garland, A. M. Atria and R. Baggio

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Sillenites: composition, structure, morphology, crystal growth

T. I. Mel'nikova, G. M. Kuz'micheva, V. B. Rybakov, N. B. Bolotina and A. Cousson

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Diffraction methods for investigation of the real structure of langasite family

E. Domoroshchina, I. Kaurova, G. Kuz'micheva, V. Rybakov, A. Cousson and O. Zaharko

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Structure elucidation and aqueous speciation of water-soluble M₃S₄ M = (Mo,W) clusters bearing hydroxypropyl diphosphine ligands

T. F. Beltrán, M. G. Basallote, M. J. Fernández-Trujillo, J. A. Pino, C. Corao, R. Llusar, M. Sokolov and C. Vicent

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Incommensurate structure analyses of Bi-Te and Sb-Te binary system

K. Shakudo, K. Kifune, Y. Kubota, T. Matsunaga, N. Yamada and M. Takata

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Structural conditionality of proton conductivity in M_mH_n(XO₄)_(m+n)/2 crystals

I. Makarova, T. Chernaya, I. Verin, V. Grebenev and V. Dolbinina

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Pseudosymmetry and unusual Cu²⁺O₅ coordination figures in Na₁₈Cu₃(PO₄)₈·2H₂O

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Copper-carboxylate complexes supported on Keggin polyoxometalates

A. Pache, A. Iturrospe, P. Vitoria, S. Reinoso, L. Lezama, B. Artetxe and J. M. Gutiérrez-Zorrilla

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The novel Krebs-type polyoxometalate [{Ni(C₄H₄N₂O₂)(H₂O)}₂(WO₂)₂(β-SbW₉O₃₃)₂]⁴⁻

B. Artetxe, P. Vitoria, S. Reinoso, A. Iturrospe, A. Pache and J. M. Gutiérrez-Zorrilla

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Inorganic-metalorganic hybrid compounds based on POMs and Cu-N₂Py₂ complexes

A. Iturrospe, P. Vitoria, S. Reinoso, L. Lezama, B. Artetxe, A. Pache and J. M. Gutiérrez-Zorrilla

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Solid state arrangement of diruthenium tetracaboxylates and tetraamidates

J. Perles, P. Delgado-Martínez, R. Jiménez-Aparicio, J. L. Priego, M. R. Torres and F. A. Urbanos

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Synthesis and structural study of photoluminescent lanthanide-organic frameworks

S. M. F. Vilela, M. O. Rodrigues, J. A. Fernandes, D. Ananias, P. Silva, J. P. C. Tomé, S. A. Júnior, J. Rocha and F. A. A. Paz

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Synthesis, crystal structure and thermal decomposition of NaSc₃[HPO₃]₂[HPO₂(OH)]₆

S. Chen, Y. Prots, R. Kniep and S. Hoffmann

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Effect of magnesium on the thermal stability of the hydroxyfluorapatite

S. Nsar and K. Bouzouita

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Role of supramolecular interactions on electronic absorption spectra of metal dithiolene complexes

R. Kishore and S. K. Das

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Crystal structure and phase transition of Rb_1−x(NH₄)_xIO₃ mixed crystal

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New molybdenum peroxocomplexes as a promising catalysts

A. Dobija, W. Nitek, D. Mucha and W. Łasocha

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Indialite and cordierite in glass ceramics for millimeterwave dielectrics

H. Ohsato, T. Ida, J.-S. Kim and C.-I. Cheon

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Phase formation in deformed iron-based alloys under saturation by N and C

L. Demchenko, S. Sidorenko and A. Titenko

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Structure types of intermolecular tin halide interactions in diorgaotin dihalides

H. Reuter, F. Ye, M. Reichelt, J. Vages, S. Osthaar and S. Schwitke

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Crystal structures of few new β-octamolybdates

W. Łasocha, A. Rafalska-Lasocha and W. Nitek

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Crystal structure of C₄H₈ONH₂-PbBr₃ by neutron and X-ray diffraction experiments

A. Kawasaki, K. Takano, M. Takahashi, T. Ohhara, K. Ohshima, K. Kusaka, I. Tanaka, T. Yamada, T. Hosoya, K. Kurihara and N. Niimura

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Synthesis, structural reinvestigation and physical properties of alkali hexatitanate

K. Kataoka, M. Mamiya, N. Kijima, K. Ohshima and J. Akimoto

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Critical behaviour of Ti doped manganite La_0.67Ba_0.33MnO₃

M. Oumezzine, S. Zemni, S. Kallel and O. Peña

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The structure and magnetic properties of the solid-solution: Na₂(Zn,Co)SiO₄

C. H. Lake, W. D. Moon, Y. Hu, B. H. Toby, J. Mitchell and H. Zheng

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High-resolution neutron diffraction on a tiny perdeuterated crystal

A. Mitschler, M. Blakeley, I. Petit-Haertlein, M. Haertlein, C. Mueller-Dickmann, A. Popov and A. Podjarny

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Proton polarization technique for neutron protein crystallography (NPC)

N. Niimura, T. Chatake, I. Tanaka and K. Kusaka

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Overview of the Ibaraki Biological Crystal Diffractometer (iBIX) at J-PARC

I. Tanaka, K. Kusaka, T. Hosoya, K. Kazuo, T. Ohhara, T. Yamada, K. Tomoyori, T. Yokoyama and N. Niimura

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Large volume crystal growth in restricted geometry for neutron crystallography

J. D. Ng, R. C. Hughes, L. Coates, S. J. Tomanicek, J. M. Garcia-Ruiz, M. P. Blakeley and P. Langen

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Neutron structure of retaining glycosyltransferase GTA

B. Schuman, S. Z. Fisher, S. Borisova, M. M. Palcic, L. Coates, P. A. Langan and S. V. Evans

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Joint neutron/X-ray crystallographic study on the mechanism of pectate lyase

S. Ali, S. Texeira and R. W. Pickersgill

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Transthyretin amyloidosis – insights from neutron crystallography

M. Haupt, M. P. Blakeley, S. C. M. Teixeira, E. P. Mitchell, M. B. Pepys, V. T. Forsyth and J. B. Cooper

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The first neutron structure analysis of protein with iBIX in J-PARC

K. Kusaka, T. Yamada, T. Hosoya, T. Ohhara, K. Kurihara, K. Tomoyori, T. Yokoyama, I. Tanaka and N. Niimura

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Crystallographic autostereograms

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Incorporation of crystallographic data use into undergraduate chemistry education

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Chemical crystallography for undergraduate research: unexpected and fruitful results

G. S. Nichol, S. K. Hurst and E. Rajaseelan

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Development of educational environment and student's life strategies

P. Kodess and B. Kodess

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Fibre bundle approach to spin glass state and other magnetic structures with their symmetries

J. Warczewski, P. Gusin and D. Wojcieszyk

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Investigation of the mosaicity of a Li₂SO₄·H₂O crystal

A. K. Hüsecken

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The structure of SapA lipoprotein discs

K. Popovic, J. Holyoake, R. Pomès and G. G. Privé

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First prokaryotic LOX structure: interactions with phospholipids and membranes

X. Carpena, A. Garreta, S. P. do Val de Moraes, Q. Garcia, A. Ortiz, M. Busquets, A. Manresa, B. Gaffney and I. Fita

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Crystal structures of lipid-raft protein stomatin and its specific protease

H. Yokoyama, S. Fujii and I. Matsui

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Gram-positive bacterial conjugation: new structural insight on plasmid pIP501

N. Gössweiner-Mohr, C. Fercher, E. K. Çelik, K. Arends, E. Grohmann and W. Keller

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GPCR Network – understanding human GPCR biology

E. E. Abola, V. Cherezov, P. Kuhn and R. Stevens

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Visualization of lipid bilayers in protein crystals by contrast modulation

Y. Norimatsu, J. Tsueda, A. Hirata, S. Iwasawa and C. Toyoshima

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How iodide ions inhibit the oxygen evolution of photosystem II?

K. Kawakami, D. Hagiwara, Y. Umena, J.-R. Shen and N. Kamiya

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Production of membrane histidine kinases from Mycobacterium tuberculosis

M. Martinez, A. E. Mechaly and P. M. Alzari

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Exploring the Na⁺/K⁺-ATPase:Src kinase complex

L. Schuldt, L. Yatime, N. Fedosova and P. Nissen

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Inhibition of the sarcoplasmic reticulum Ca²⁺-ATPase by thapsigargin analogues

I. Jurková, C. Olesen, P. Nissen and J. V. Møller

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Hydrogen-bond networks and channels revealed in the 1.9 Å structure of PSII

Y. Umena, K. Kawakami, N. Kamiya and J.-R. Shen

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Structural studies on cora magnesium transporter from Methanococcus jannaschii

A. Guskov and S. Eshaghi

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The catalytic architecture of leukotriene C₄ synthase with two arginine residues

H. Saino, Y. Ukita, H. Ago and M. Miyano

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Crystal structures of photosystem II complexed with electron-transfer inhibitors

S. Suzuri, K. Kawakami, T. Tashiro, Y. Umena, J.-R. Shen and N. Kamiya

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Crystallization and structure analysis of a PsbM-deletion mutant of PSII

S. Uto, K. Kawakami, Y. Umena, M. Iwai, M. Ikeuchi, J.-R. Shen and N. Kamiya

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A C-terminal pathway in the calcium pump

M. Bublitz, M. Musgaard, B. Arnou, H. Poulsen, C. Olesen, J. P. Morth, J. V. Møller and P. Nissen

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Crystal structure of the STAS domain of the SLC26 anion transporter prestin

R. Battistutta, E. Pasqualetto, R. Aiello and G. Bonetto

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Crystal structure analysis of multidrug transporter MexB

R. Yonehara, E. Yamashita, K. Harada, N. Sato, T. Matsuura, S. Murakami, T. Nakae and A. Nakagawa

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Isolation and crystallization studies of selected proteins from plant photosystem II

J. Kohoutová, O. Shmidt, E. P. Molina, J. A. Gavira, P. Řezačová, D. Kaftan, M. Kutý, J. M. Garcia-Ruiz and I. K. Smatanová

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ProSMART – procrustes structural matching alignment and restraints tool

R. Nicholls and G. Murshudov

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Towards the complete structure of the S-layer protein SbsC

A. Đordić, T. Pavkov-Keller, E. M. Egelseer, U. B. Sleytr and W. Keller

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A study of how different ligands and pH may influence insulin crystallisation by using powder diffraction

A. Giannopoulou, F. Karavasili, Y. Watier, J. Wright, A. Fitch, I. Margiolaki, M. Norrman and G. Schluckebier

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Structural studies of urate oxidase using powder diffraction

F. Karavasili, A. Giannopoulou, S. Dagogo, J. Wright, A. Fitch, M. Giffard, F. Bonneté and I. Margiolaki

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Engineering cysteine residues to facilitate protein crystallization: a case study with the beta galactosidase from Lactobacillus plantarum

Y. Álvarez, I. Angulo, J. A. Curiel, B. de las Rivas, R. Muño and J. M. Mancheño

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Structural insights in the DNA binding mechanism of a NAC transcription factor

L. Lo Leggio, D. H. Welner, S. Lindemose, A. N. Olsen and K. Skriver

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Optimising low resolution structural biology techniques

A. A. McCarthy, S. Brockhauser, S. McSweeney and EMBL-Grenoble/ESRF Joint Structural Biology Group

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Preferential enrichment of cocrystals of amino acids and achiral dicarboxylic acid classified as racemic compound

S. Iwama, R. Gonnade, Y. Mori, K. Kuyama, H. Takahashi, H. Tsue and R. Tamura

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Direct observation of chirality inversion only by photo-irradiation in a crystal

Y. Ohashi, T. Nitami, A. Sekine and H. Uekusa

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On mixed crystals of chiral organic substances

N. Taratin, A. Glikin, E. Kotelnikova, H. Lorenz and A. Seidel-Morgenstern

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Crystal handedness and spin chirality of transition metal monosilicides

S. V. Grigoriev, D. Chernyshov, V. A. Dyadkin, D. Menzel, V. Dmitriev, E. V. Moskvin, N. M. Potapova, H. Eckerlebe and S. V. Maleyev

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Non-centrosymmetric molecules – centrosymmetric structure?

C. M. L. Vande Velde, M. Zeller and F. Blockhuys

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Influencing absolute structure determination

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Pairwise assembly of high-nuclearity arylpalladium(II) cages

C. Murray, A. Swift, H. M. Colquhoun, C. J. Cardin and D. Allan

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Synthesis and characterization of honeycombed ruthenium-based coordination polymers

A. Dikhtiarenko, S. A. Khainakov, J. R. García and J. Gimeno

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Crystal structure of a new N-acyloxazolidinone

L. Menéndez-Taboada, S. García-Granda, N. Fresno, R. Pérez-Fernández, P. Goya and J. Elguero

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Do nitrogen atoms assist the formation of racemic conglomerates?

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Homochiral metal organic framework with unh-topology

S. C. Sahoo, T. Kundu and R. Banerjee

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One-dimensional and two-dimensional Zn(II) and Cd(II) sulfates with bipyridine and dioxime ligands

E. B. Coropceanu, L. Croitor, A. V. Siminel, V. C. Kravtsov and M. S. Fonari

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Synthesis and crystal structure of a new cadmium coordination polymer with 2-(pyrazol-1-yl)-2-thiazoline (PyTn)

R. Pedrero-Marín, F. Luna-Giles, A. Bernalte-García, F. J. Barros-García, E. Viñuelas-Zahínos and P. Torres-García

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Synthesis and structural study of a circular trimetallic Cu(I) helicate

L. Lemus, J. Guerrero, J. Costamagna, D. Jara, J. Zagal, A. Oliver, G. Ferraudi and G. Lappin

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Chiral selection in the formation of borates from racemic binaphthols and related diols

A. L. Thompson, J. A. Raskatov and J. M. Brown

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Recent developments in the SuperNova dual source micro-focus diffractometer

Z. Gál, F. White, A. Griffin, O. Presly, A. Thompson and C. Frampton

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A three-dimensional framework structure of vanadium and 1,2,4,5-benzenetetracarboxylate

O. In-noi, G. S. Nichol, D. L. Lichtenberger, J. H. Enemark and K. J. Haller

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Synthesis and structural characterization of two new isoindol derivatives

G. Yakalý, D. Barut, G. G. Santiago, O. Büyükgüngör, N. Öcal, M. Gökçe and M. Aygün

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Modulated post-simple cubic structures in compressed P and Ca: electronic origin

V. F. Degtyareva

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Incommensurate electronic motifs in tetramethylpyrene polyiodide crystals

S. Lindeman, V. Vyas and R. Rathore

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Incommensurate BiMO₃ perovskites: Bi₂Mn_2/3M_2/3Ni_2/3O₆ and Bi₂M′M′′O₆

J. B. Claridge and M. Rosseinsky

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Huge period versus aperiodicity in organic host guest systems

P. Rabiller, L. Guérin, C. Mariette, B. Toudic, C. Ecolivet and M. Hollingsworth

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On the criterion of modulated-structures formation for strain-induced-interacting vacancies in irradiated f.c.c. crystals

O. V. Oliinyk and V. A. Tatarenko

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Misfit structure determination of a multication Ce, Nd, (Bi) Cr, V, (Ta) sulphide

L. C. Otero-Díaz and A. Gómez-Herrero

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Transmission electron microscopy study of low Mo-content Bi-Mo-O phases

A. R. Landa-Cánovas, E. Vila, J. Hernández-Velasco, J. Galy and A. Castro

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Superspace description of low-temperature phases in the system Bi₂O₃-MoO₃

P. J. Bereciartua, F. J. Zuñiga, J. M. Pérez-Mato, V. Petrícek, E. Vila, A. Castro, J. Rodríguez-Carvajal and S. Doyle

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Long range ordering in the spin crossover compound [Fe(5-NO₂-sal-N(1,4,7,10))]

J. Kusz, M. Nowak, V. Petřiček, M. Zubko and P. Gütlich

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Commensurate three-dimensional Ln-pmdc-ox open frameworks

J. Cepeda, G. Beobide, O. Castillo, M. Lanchas, A. Luque, S. Pérez-Yáñez, P. Román, J. Thomas-Gipson and D. Vallejo-Sánchez

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Thermally induced structural changes in modulated Ca_0.28Ba_0.72Nb₂O₆ (CBN28)

H. A. Graetsch, C. S. Pandey, J. Schreuer, M. Burianek and M. Mühlberg

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Anion deficient perovskites (Pb,Bi)_1−xFe_1+xO_3−y modulated by crystallographic shear planes

D. Batuk, A. Abakumov and J. Hadermann

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Protein Data Bank on the semantic web

A. R. Kinjo and H. Nakamura

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Freezing of disordered hydrogen-bonding networks observed in nucleotide hydrates

S. Yamamura and Y. Sugawara

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Experimental charge density of selected amino acids

A. Pazio, M. Malińska, M. Gutmann and K. Woźniak

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Multi component crystals of active pharmaceuticals ingredients: 1,1-dimethylbiguanide hydrochloride, diflunisal and valproic acid

E. Kats, J. Bernstein, A. Lemmerer, S. H. Lapidus and P. W. Stephens

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Experimental charge density distribution in N-o-vanillylidene-L-histidine

G. A. Bogdanović, B. M. Drašković, A.-C. Chamayou, M. A. Neelakantan, S. Thalamuthu and C. Janiak

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Rerefinement of tricyclic acyclovir: C₁₁H₁₃N₅O₃·2H₂O

M. Meepripruk and K. J. Haller

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Crystal structure of two new carbacylamidophosphates

F. Abdevali, K. Gholivand, S. Farshadian and Z. Hosseini

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X-ray fluorescence imaging of ancient artifacts

R. E. Thorne, E. C. Geil, K. Hudson, K. Clinton, C. Crowther and D. Dale

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Opacity in mosaic glass: crystals make technological history

R. Arletti and M. Vandini

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Spectroscopic study of chromophores in ancient HIMT glass

S. Quartieri, L. De Ferri, R. Arletti and G. Ponterini

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μ-XRF study on unearthed ancient pottery at Au Thong, Thailand

P. Dararutana, K. Won-in, Y. Thongkam, S. Intarasiri, C. Thongleurm, T. Kamwanna and S. Tancharakorn

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Studies of archaeologicals by X ray imaging, fluorescence and diffraction

O. Tarquini and M. Colapietro

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Metals and colors: the case of glass slabs from late antique Faragola (Italy)

E. Gliozzo and F. d'Acapito

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The role of copper on colour of paleo-Christian glass mosaic tesserae: an integrated study

F. d'Acapito, A. Silvestri, S. Tonietto and G. Molin

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Using two-dimensional detectors for X-ray imaging

S. Prugovecki, D. Beckers, K. Seo and M. Gateshki

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Macromolecular crystallization: robotics, procedures and innovations

F. Gorrec, O. Perisic, C. Aylett and J. Löwe

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Utilization of desiccant for enhancing protein crystallization

D.-C. Yin, Q.-Q. Lu, R.-Q. Chen, S.-X. Xie, Y.-M. Liu, X.-F. Zhang, L. Zhu, Z.-T. Liu and P. Shang

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Fields and crystals: what can we learn about quality?

V. Stojanoff, J. Jakoncic, C. Owen and A. Moreno

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Random microseeding: a theoretical and practical exploration of the microseed matrix-screening (MMS) method, with new recommendations for achieving crystallization success

P. D. S. Stewart, R. A. Briggs, S. A. Kolek and P. Baldock

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Fluorescence anisotropy-based macromolecule crystallization screening

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Structural and biochemical characterization of HP0315 as a VapD protein with an endoribonuclease activity from Helicobacter pylori

K. Lee, A.-R. Kwon, J.-H. Kim, S. J. Park, H. Im, Y.-H. Min, I. Lee, K. Lee and B.-J. Lee

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Crystal structure of the dimerization domain of human filamin A

S.-H. Seok, M.-D. Seo, A.-R. Kwon, H. Im and B.-J. Lee

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Protein crystallization with zeolite

M. Sugahara and N. Kunishima

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Crystallization of macromolecules in selenate to solve the phase

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X-ray structure reveals a new class of alkaline phosphatase

S. C. Bihani, A. Das, K. S. Nilgiriwala, V. Prashar, S. K. Apte, J. L. Ferrer and M. V. Hosur

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Structural insights into the mechanism of drug activation by azoreductases

A. Ryan, E. Kaplan, N. Laurieri, E. Lowe and E. Sim

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First structural evidence for the order of preference of inorganic substrates by lactoperoxidase

P. Kaur, N. Pandey, A. K. Singh, M. Sinha, S. Sharma and T. P. Singh

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Structure and mechanism of chloromomuconolactone dehalogenase from Rhodococcus opacus 1CP

C. Roth, S. Kaschabek, J. A. D. Gröning, M. Schlömann and N. Sträter

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L-N-carbamoylase structure suggests a striking case of protein evolution

S. Martínez-Rodríguez, A. García-Pino, J. M. Clemente-Jiménez, R. Loris, F. Rodríguez-Vico, J. M. García-Ruiz, H.-V.F.J. Las and J. A. Gavira

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Crystal structures of cytochrome c peroxidase from Pseudomonas stutzeri in active and inactive forms

A. Mukhopadhyay, C. Trimoteo, C. Bonifacio, I. Moura, M. J. Romao and J. Trincao

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Functional studies on disulfide bond forming proteins of Wolbachia pipientis

P. M. Walden, B. Heras, I. Iturbe-Ormaetxe, K. Inaba and J. L. Martin

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Structure of the C-terminal domain of the MutL homolog from N. gonorrhoeae

D. T. Nair, N. Sivakumar, D. Jain, D. S. Kulkarni, C. R. Tabib, P. Friedhoff and D. N. Rao

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Structure and mechanism of the diiron benzoyl coenzyme A epoxidase BoxB

T. Weinert, L. J. Rather, U. Demmer, E. Bill, G. Fuchs and U. Ermler

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Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney

M. Senda, H. Tanaka, N. Venugopalan, A. Yamamoto, T. Ishida, K. Horiike and T. Senda

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Molecular determinants of substrate specificity in a novel SGNH hydrolase

N. Manoj, K. Bakshy and N. Narayanan

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Structural insight into iron pathways in ferritin

S. Mangani, I. Bertini, D. Lalli, C. Pozzi, C. Rosa and P. Turano

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Structural comparison of the milk-clotting enzymes bovine and camel chymosin

J. L. Jensen, A. Mølgaard, J.-C.N. Poulsen, H. van den Brink, M. Harboe, J. B. Simonsen, K. B. Qvist and S. Larsen

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Unveiling the substrate-bound structure of a Baeyer-Villiger monooxygenase

B. J. Yachnin, P. C. K. Lau and A. M. Berghuis

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Structural and functional studies of Pseudomonas mesoacidophila MX-45 trehalulose synthase and trehalulose hydrolase

A. Lipski, R. Moez, H. Watzlawick, R. Mattes, R. Haser and N. Aghajari

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X-ray and neutron crystallographic structure-based mechanism of archaeal inorganic pyrophophatase from Thermococcus thioreducins

R. C. Hughes, L. Coates, M. P. Blakeley, S. J. Tomanicek, E. J. Meehan, J. M. Garcia-Ruiz and J. D. Ng

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Structural insights into the enzyme catalysis of dissimilatory sulfite reductase

C.-J. Chen, Y.-C. Hsieh, M.-Y. Liu, V.C.-C. Wang and S. I. Chan

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Structural insights into function of heterodimeric prenyltransferase

D. Sasaki, M. Fujihashi, N. Okuyama, M. Noike, T. Koyama and K. Miki

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Crystal structure of ferredoxin-NAD(P)⁺ reductase from Rhodopseudomonas palustris

N. Muraki, D. Seo, T. Sakurai and G. Kurisu

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Hydrolysis of the thioester intermediate in UDP-glucose dehydrogenases

P. Borges, J. Rocha, A. Popescu, D. Mil-Homens, I. Sá-Correia, A. Fialho and C. Frazao

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Coenzyme binding in a highly specific isocitrate dehydrogenase

N. Sidhu, L. T. J. Delbaere and G. M. Sheldrick

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TrpS – evolutionary paths to catalytic efficiency

O. Mayans, A. Basle and R. Bucher

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Distant residues of maize glutamine synthetase affecting substrate affinity

M. Kusunoki, T. Ozaki, A. Nakagawa and T. Hase

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Crystal structures of human sulfotransferase 1A1: from broad to narrow specificity

C. Guttman, I. Berger, A. Aharoni and R. Zarivach

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DNA recognition by restriction endonuclease AgeI

G. Tamulaitiene, V. Jovaisaite, D. Golovenko, E. Manakova, S. Grazulis and V. Siksnys

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Crystal structure of the branching enzyme I (BEI) from Oryza sativa L

K. Chaen, J. Noguchi, T. Nakashima, Y. Kakuta and M. Kimura

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Structural analysis of chondroitin polymerase from Escherichia coli K4

M. Soejima, N. Sugiura, M. Sobhany, K. Kimata, M. Negishi, M. Kimura and Y. Kakuta

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FAD binding may inhibit a FMN-dependent nitroreductase from Idiomarina loihiensis L2TR

A. Kumar, J. Chiu, M. Miller, M. Elsliger, A. Deacon and I. Wilson

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Understanding the role of RecN in the DSB repair pathway of Deinococcus radiodurans

S. Pellegrino, S. McSweeney and J. Timmins

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Structural insight into modes of substrate selectivity and catalysis in the shikimate dehydrogenase superfamily

J. Peek, J. Lee and D. Christendat

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Crystal structure of cytosine deaminase complexed with a mimic of the tetrahedral intermediate

A. Fedorov, E. Fedorov, R. Hall, C. Xu, F. Raushel and S. Almo

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Crystal structure of flavin reductase from Rhizobium sp. strain MTP-10005

T. Yamauchi, T. Fujii, M. Yoshida, T. Oikawa and Y. Hata

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Unexpected reactions resulting from mutating catalytic residues in an amidase

S. Kimani and T. Sewell

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Structural investigation of Pseudomonas aeruginosa glyoxalase I enzymes

R. Bythell-Douglas, U. Suttisansanee, J. Honek and C. Bond

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Structural basis for increased thermal stability of adenylate kinase variants

E. Bae, S. Moon, D. Jung and Y. Koo

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Structure of the β-galactosidase from Kluyveromyces lactis

R. Fernández-Leiro, A. Pereira-Rodríguez, M. I. González-Siso, M. E. Cerdán-Villanueva, M. Becerra-Fernández and J. Sanz-Aparicio

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Structural studies of β-D-xylosidase from Streptomyces thermoviolaceus OPC-520

K. Tomoo, K. Saito, T. Usui, T. Ishida, K. Miyamoto, H. Tsujibo, R. Hirose, K. Hamada, Y. Nakamura, G. Ueno and M. Yamamoto

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Structural study of the mutants of FDTS from T. maritima

I. I. Mathews, T. Fleischmann, A. Kohen and S. A. Lesley

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Structure determination of levan fructotransferase

J. Park, M.-I. Kim and S. Rhee

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Dissecting enzyme mechanisms in the purine nucleotides biosynthetic pathway

G. Kawai, S. Baba, M. Kanagawa, S. Kuramitsu and G. Sampei

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Crystal structure of aspartate racemase from Lactobacillus sakei NBRC-15893

Y. Hata, T. Fujii, M. Ishiyama, T. Yamauchi, Y. Gogami and T. Oikawa

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Insights into the fumarase reaction mechanism from crystal structures of Rv1098c

A. E. Mechaly, A. Haouz, I. Miras, P. M. Alzari and M. Bellinzoni

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Cap architecture conservation in monoglyceride lipases from bacteria to humans

C. Sturm, S. Rengachari, G. A. Bezerra, L. Riegler, C. C. Gruber, U. Taschler, A. Boeszoermenyi, R. Zimmermann, K. Gruber and M. Oberer

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A hybrid multifunctional antioxidant system: peroxiredoxin nitroreductase enzyme

A. Navaza, P. Prosper, J.-P. Jacquot, N. Rouhier and A. Haouz

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Hpy188I-DNA structures – snapshots of the GIY-YIG nuclease mediated catalysis

H. Czapinska, M. Sokolowska and M. Bochtler

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Structural variability of type II restriction endonucleases

M. Bochtler, M. Sokolowska, H. Czapinska, M. Wojciechowski, M. Firczuk and R. Szczepanowski

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Non-catalytic domain of invertases: the key for oligomerization and specificity

M. A. Sainz-Polo, B. González, M. Alvaro, M. Fernández-Lobato, A. Lafraya, J. Marín, J. Polaina and J. Sanz-Aparicio

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Structural and functional studies of Staphylococcus aureus pyruvate carboxylase

L. P. C. Yu and L. Tong

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Crystal structure of the catalytic domain of multidomain PHB depolymerase

T. Hisano, M. Shiraki, Y. Shiro, K. Miki and T. Saito

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Intermediates along the NAD⁺ cyclisation reaction pathway of ADP-ribosyl cyclase

M. Kotaka, R. Graeff, L. Zhang and H. C. Lee

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Sulfolobus solfataricus adenine phosphoribosyltransferase

A. Kadziola, K. S. Jensen, A. Mølgaard, J.-C.N. Poulsen and K. F. Jensen

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UDP-sugar derivatives reveal novel dynamic features of blood group glycosyltransferases

R. Jørgensen, T. Pesnot, G. K. Wagner and M. Palcic

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The 1.3 Å structure of copper nitrite reductase from thermophilic denitrifer

Y. Fukuda, T. Tamada, H. Takami, T. Inoue and M. Nojiri

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Protonation states of key residues observed during in situ ADPRase reaction

Y. Furuike, Y. Akita, I. Miyahara and N. Kamiya

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Versatile loops in mycocypins inhibit three protease families

M. Renko, J. Sabotic, M. Mihelic, J. Brzin, J. Kos and D. Turk

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Identification and structural studies of novel bacterial chitinases

J. Dohnálek, J. Dušková, G. Tiščenko and J. Šimůnek

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Structural insights into autoactivation mechanism of p21-activated protein kinase

Z.-X. Wang, J. Wang and J.-W. Wu

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Site directed mutagenesis to the rescue: unravelling conformational changes of inositol 1,3,4,5,6-pentakisphosphate 2-kinase

J. I. B. Sanz, J. S. Aparicio, C. A. Brearley and B. G. Pérez

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Structural basis of methylglucose lipopolysaccharide biosynthesis in mycobacteria

D. Albesa-Jove, S. Urresti, F. Schaeffer, P. Gest, H. T. Pham, M. van der Woerd, A. C. Gonzalez, S. L. Fernandez, P. J. Brennan, P. M. Alzari, M. Jackson and M. E. Guerin

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Crystal structure of cyclophilin-a enzyme from Azotobacter vinelandii

E. Christoforides, M. Dimou, P. Katinakis, K. Bethanis and M. Karpusas

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Crystal structure analysis of the genetic encoded photosensitizer KillerRed

N. Sakai, Y. Kitago, K. Takemoto, T. Matsuda, T. Ayabe and T. Nagai

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Structure improvement and analysis of F16L lipase crystallized under microgravity environment

R. N. Z. R. A. Rahman, M. S. M. Ali, A. L. T. Chor, A. B. Salleh and M. Basri

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Crystal structure of the engineered cross-linked complex between Fd and FNR

H. Kubota, Y. Kimata-Ariga, N. Muraki, G. Kurisu and T. Hase

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A single amino acid limits the substrate specificity of uridine-cytidine kinase

F. Tomoike, N. Nakagawa, R. Masui and S. Kuramitsu

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Structure-based catalytic optimization of a type III rubisco

Y. Nishitani, S. Yoshida, M. Fujihashi, K. Kitagawa, T. Doi, H. Atomi, T. Imanaka and K. Miki

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TTP binding in the active conformation of dCTP deaminase:dUTPase

P. Harris, M. N. Løvgreen and M. Willemoës

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Structural studies of the aminotransferases LivB and NeoB

M. Schöpfel, U. Bräuer, C. Parthier, D. Clausnitzer, T. Beck, U. F. Wehmeier and M. T. Stubbs

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Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides

V. Saridakis, D. Christendat, A. Bochkarev and E. F. Pai

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Crystal structure of hypoxanthine guanine xanthine phosphoribosyl transferase from the thermophilic archeon Sulfolobus solfataricus

S. Christoffersen, K. Usbeck, M. R. Hansen, S. Larsen and K. F. Jensen

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Crystal structure of enoylpyruvate transferase in Streptococcus pneumoniae

J. Gutiérrez-Fernández, S. G. Bartual and J. A. Hermoso

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The structure of a novel bifunctional dehydratase/isomerase from fungal secondary metabolism

M. Claesson and G. Schneider

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Structures of exo-β-D-glucosaminidase, a chitosan degrading enzyme from Trichoderma reesei

Y. Sakamoto, T. Umeda, M. Ike, N. Tanaka, Y. Suzuki, W. Ogasawara, H. Okada, T. Nonaka, Y. Morikawa and K. T. Nakamura

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One residue substitution in PcyA leads to unexpected changes in tetrapyrrole substrate binding

K. Wada, Y. Hagiwara and K. Fukuyama

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Mapping of protein-protein interaction sites in the plant-type [2Fe-2S] ferredoxin

K. Fukuyama, H. Kameda, K. Hirabayashi and K. Wada

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Crystallographic analyses of the ISC proteins involved in de novo Fe-S cluster biogenesis

K. Hirabayashi, Y. Takahashi, K. Fukuyama and K. Wada

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pH-dependent substrate recognition in human MTH1

Y. Yamagata, Y. Koga, C. Hashikawa, M. Inazato, M. Chirifu, T. Nakamura, S. Ikemizu and Y. Nakabeppu

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Inclusion of the insecticide endosulfan in cyclodextrins

D. L. Cruickshank, S. A. Bourne and M. R. Caira

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180° domain detection by surface phase sensitive second harmonic generation microscopy of polar materials

J. Hulliger and H. Aboulfadl

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Molecular recognition and cluster size in supersaturated solutions of NaClO₃

S. Veintemillas-Verdaguer, Z. El-Hachemi, J. Crusats, J. M. McBride and J. M. Ribó

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The effect of solvents on the dissociation and association of decavanadates

T. Kojima, M. R. Antonio and T. Ozeki

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Spontaneous mirror symmetry breaking in the crystallization of NaClO₃

J. M. Ribo, Z. El-Hachemi, J. Crusats, J. M. McBride and S. Veintemillas-Verdaguer

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Multialiquot algorithm for the automation of structure determination from powder

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Optimizing the input parameters for powder charge flipping

D. Šišak, C. Baerlocher and L. B. McCusker

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More reliable intensity extraction from powders using texture

J. Grässlin, L. B. McCusker, C. Baerlocher, F. Gozzo, B. Schmitt and L. Lutterotti

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Patterson function direct methods for structure solution from powder data

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PDXL structure analysis wizard

G. Schuck, A. Iwata, A. Sasaki, A. Himeda, H. Konaka and N. Muroyama

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Recent progress in joint charge and spin densities refinement

M. Deutsch, N. Claiser, Y. Chumakov, M. Souhassou, C. Lecomte, S. Pillet, B. Gillon and J.-M. Gillet

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Structure and magnetic order in CrOCl at low temperatures

A. Schönleber, J. Angelkort, J. Zhang, S. van Smaalen, R. K. Kremer and A. Senyshyn

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Probing the local sense of the Dzyaloshinskii-Moriya vector: neutrons versus X-rays

V. E. Dmitrienko, E. N. Ovchinnikova, J. Kokubun, K. Ishida, V. A. Chizhikov and S. Collins

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Magnetic structures of the Co⁺² doped Mn_1−xCo_xWO₄ wolframites

I. Urcelay-Olabarria, E. Ressouche, J. L. García-Muñoz and V. Skumryev

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Structural, magnetic and magnetocaloric properties of CoMnGe_1.95Ga_0.05

Y. Elerman, I. Dincer, H. Ehrenberg and T. Bell

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Magnetic space groups: database and extinction rules for magnetic diffraction

S. V. Gallego, E. S. Tasci, G. de la Flor, J. M. Perez-Mato and M. I. Aroyo

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Magnetic structures of the family R_mM_nIn_3m+2n of intermetallic compounds

R. Lora-Serrano, P. G. Pagliuso, C. Giles, E. Granado, C. Adriano, P. S. Muñoz, R. Cobas and J. M. Cadogan

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Structural biology and SAXS beamlines at the Photon Factory

N. Igarashi, N. Matsugaki, Y. Yamada, L. G. Chavas, M. Hiraki, N. Shimizu, T. Mori and S. Wakatsuki

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Magnetic dynamical structures of possible spin-Peierls system TiOBr

T. Yokoo, S. Itoh, F. Trouw, A. Llobet-Megias, J. Taylor and J. Akimitsu

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Making crystallography appealing to secondary school students

S. García-Granda and L. Roces

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Structural basis for the mechanical deformation in organic solids

C. M. Reddy and S. Ghosh

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Highly symmetric complex intermetallics

J. Dshemuchadse, D. Y. Jung and W. Steurer

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Unusual orbital and atomic ordering in tetragonal phase of MgTi₂O₄

V. M. Talanov, V. B. Shirokov, V. V. Ivanov and M. V. Talanov

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Self-assembly of nanoparticles into planar modulated superstructures

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Crystal structures of new superconducting compounds, LnT₂Zn₂₀ (Ln = La, Pr, T = Ru, Ir)

Y. Matsushita, T. Onimaru, K. T. Matsumoto, A. Sato and T. Takabatake

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Structure of a polymeric Ce(III) complex containing pyridine-2,6-dicarboxylic acid

M. A. Sharif, M. Tabatabaee and A. Saeidfar

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Reciprocal space statistical thermodynamics of inhomogeneous disordered systems

M. Rasshchupkyna, V. Bugaev, A. Udyansky, M. Castro-Colin and P. Wochner

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Some examples of polyoxometalates crystal structure defects

G. Leitus, L. J. W. Shimon, Y. Diskin-Posner, A. M. Khenkin and R. Neumann

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Supercell approximation for an incommensurately modulated crystal of profilin:actin

J. C. Porta, J. J. Lovelace and G. E. O. Borgstahl

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Service crystallography at the University of Santiago de Compostela

A. L. Llamas-Saiz, B. Dacuña-Mariño, O. Lantes, G. Zaragoza, I. Fernández and J. Rama

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Improved DFT calculation of Raman spectra of silicates and similar compounds

D. M. Többens and V. Kahlenberg

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Design and characterization of high-performance CMOS area detectors for X-ray crystallography

R. Durst, M. Benning, B. Becker, T. He, J. Kaercher and G. Wachter

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Simple techniques for measuring the performance of two-dimensional X-ray detectors

M. Adam, T. He and R. Durst

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Identification of mineral in thin section by energy-scanning X-ray diffraction

K. Hagiya, T. Mikouchi, M. E. Zolensky, K. Joy, K. Ohsumi, Y. Terada, N. Yagi and M. Takata

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The application of vacuum in the elucidation of structural changes

J. E. Warren, M. J. Rosseinsky, A. I. Cooper, M. Schmidtmann, C. Perkins, K. Stylianou, S. J. Teat and C. Beavers

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A Kappa diffractometer for micron sized crystals

F. Cipriani, F. Felisaz, C. Landret and G. Bourenkov

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DW Varimax Rapid II: one source, two wavelengths, power and flexibility

L. Russo, K. Hasegawa, A. Iwata, M. Maeiama and A. Yamano

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Data quality in area detector diffraction experiments

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POCKETCHECK: a comprehensive contact calculation for distinct peptide-HLA structures

T. Huyton, N. Ladas, R. Blasczyk and C. Bade-Doeding

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Inducing phase transitions in protein crystals by controlled crystal dehydration

S. Russi, B. Manjasetty, A. McCarthy, F. Cipriani and H. Belrhali

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Mutual additive-induced polymorphism in aspirin / aspirin anhydride derivatives

K. A. Solanko and A. D. Bond

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MAX IV MX: macromolecular crystallography at the new MAX IV 3 GeV storage ring

T. Ursby, D. Logan, R. Neutze, G. Schneider and M. Thunnissen

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Charge density study of phosphoglycolate monopotassium salt

A. Mermer and T. Lis

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A novel high-throughput approach for purification and reconstitution of large multi-protein complexes

M. Calero, J. Guerrero, F. Pullara, Q. Zhang, H. Stevenson and G. Calero

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Crystallization of a serpin with a insulin-sensitizing function

N. Sträter, E. B. Kuettner, M. Zahn, J. T. Heiker, S. Schultz and A. G. Beck-Sickinger

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Crystal structure of bacteriophage T4 fibre protein gp37

C. Garcia-Doval, B. S. Galán, J. M. Otero, S. A. L. Llamas, R. Kahn, G. C. Fox and M. J. van Raaij

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New copper based MOFs built up from 1,2,3,4-cyclobutanetetracarboxylate ligand.

P. Díaz-Gallifa, O. Fabelo, J. Pasán, C. Martínez-Benito, M. Déniz, I. Hernandez-Rodriguez, A. D. Lozano and C. Ruiz-Pérez

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Preparation and molecular structure of the complex [Sn^IV(C₄₄H₂₈N₄)(OCN)(OH)]

I. Ben Moussa, M. S. Belkhiria, S. Najmudin, C. Bonifacio and H. Nasri

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Development of cubic anvil type high pressure apparatus for neutron scattering at low temperature

K. Munakata, H. Ishida, K. Mathan, S. Ibuka, T. J. Sato, M. Nishi, K. Matsubayashi, Y. Uwatoko and H. Kagi

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Protein tectonics platform that facilitates synchrotron radiation life science

H. Saburi, H. Naitow, K. Yutani, M. Sugahara, T. Tanaka, Y. Matsuura, T. Ishikawa and N. Kunishima

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The influence of apatite-plate orientation on the behaviour of living cells

M. Suder, M. Tyszka-Czochara and K. Stadnicka

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Potent triazolopyridine and pyrazolopyrimidine inhibitors of PLK1 and the structural basis for divergent SAR between the series

P. Chamberlain, S. Bahmanyar, B. Pagarigan, P. Patel, J. Muir, M. Abbasian, A. Mahmoudi, D. Zhu and J. R. Riggs

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SSNMR spectroscopy and X-ray crystallography of fluorinated indazolinones

C. López, R. M. Claramunt, M. P. Cabildo, C. Pérez-Medina, M. C. Torralba and M. R. Torres

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Polymorphism in 8-hydroxyquinolin-2(1H)-one by X-ray crystallography, solid-state NMR and DFT calculations

R. M. Claramunt, M. A García, M. A Farrán, C. I. Nieto, M. C. Torralba, M. R. Torres, I. Alkorta and J. Elguero

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Cation ordering at the nanoscale

M. Zema and S. C. Tarantino

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Experimental and theoretical charge density studies of lidocaine barbiturate

M. Gryl and K. Stadnicka

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Synthesis of new Cu(III) substituted dithiolate complexes (CH₃P(Ph)₃)[Cu(bdtCl₂)₂]

P. Herich, M. Fronc and J. Kozisek

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The crystal structures of two new synthetic compounds CsNaCu(P₂O₇) and Rb₂Cu(P₂O₇)

A. P. Chernyatieva, D. V. Spiridonova and S. V. Krivovichev

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Structure and functional characterisation of utrophin and dystrophin N-terminal first spectrin repeats

M. Muthu and A. J. Sutherland-Smith

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Interaction of saturated fatty acids with apoferritin

W. Bu, D. Liang, R. Liu, P. Loll, I. Dmochowski and R. Eckenhoff

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Structure analysis of ligand-independent activation of Fushi tarazu factor-1 ligand binding domain from Drosophila melanogaster

N. Kim and J.-H. Yoo

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Crystal structure of human TERT_NLS peptide in complex with hImportin α5

K. L. Kim, J.-H. Yoo and H.-S. Cho

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Controlled crystallization of organic molecules on micro-patterned surfaces

V. A. Bejarano, M. Lingenfelder, M. van der Meijden, R. Kellogg and D. B. Amabilino

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The influence of solidification direction on the CET in Zn-base alloys

A. E. Ares, M. V. Okseniuk, E. M. Agaliotis, C. E. Schvezov and S. F. Gueijman

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Crystal structures and properties of isonicotinamide:alkanediacid cocrystals

M. Tremayne, L. Thompson, R. Voguri and L. Male

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Properties of metal oxalate materials from electron density. Modelling the building blocks and evaluation of framework interaction

A. S. Chimpri and P. Macchi

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Formation of 2NaBH₄/MgH₂ system from 2NaH/MgB₂ by hydrogenation

M. Orlova, H. Gleizolle, S. Garroni, D. Pottmaier, F. Dolci, G. B. M. Vaughan, M. Baricco and M. D. Baró

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Structural studies of the RNA polymerase III transcription factor IIIC

N. M. I. Taylor, I. Kuciński, F. Rodriguez-Calviño, M. Haupt, U. Steuerwald, G. von Scheven, G. Male, C. Fernández-Tornero and C. W. Müller

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Viva Biotech Ltd – protein expert for drug discovery

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The molecular weight of proteins from a single SAXS measurement on a relative scale

M. de Oliveira Neto, H. Fischer, H. B. Napolitano, I. Polikarpov and A. F. Craievich

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Parallel alignment interactions of water and aryl rings at large displacements

G. V. Janjić, D. Z. Veljković and S. D. Zarić

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A copper(II) complex with neutral carboxylic acid ligand

H. Miyamae, K. Ito and G. Hihara

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Advances

Recently published Advances articles are given below.

Interpretation of angular symmetries in electron nanodiffraction patterns from thin amorphous specimens. A. C. Y. Liu, G. R. Lumpkin, T. C. Petersen, J. Etheridge & L. Bourgeois (2015). Acta Cryst. A71, doi:10.1107/S2053273315011845.

Identification of inversion domains in KTiOPO₄ via resonant X-ray diffraction. F. Fabrizi, P. A. Thomas, G. Nisbet & S. P. Collins (2015). Acta Cryst. A71, 361-367.

Partial order among the 14 Bravais types of lattices: basics and applications. H. Grimmer (2015). Acta Cryst. A71, 143-149.

SHELXT - Integrated space-group and crystal-structure determination. G. M. Sheldrick (2015). Acta Cryst. A71, 3-8.

Special issues

Mathematical Crystallography

Bragg centennial issue

Laue centennial issue

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