Acta Crystallographica Section A
Acta Crystallographica
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Volume 58| Part s1

ISSN: 2053-2733

August 2002 issue

Abstracts of the XIX IUCr Congress

Geneva, Switzerland, 6-15 August 2002

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abstracts

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Quasi-periodic crystals - the role of electron diffraction

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Inhibitor design and the cholera toxin family - from water puzzles to 10 kD spiders

W. G. J. Hol, E. Fan, W. E. Minke, B. Hovey, Z. Zhang, J. Pickens, F. Van den Akker, C. O'Neal, M. Ahn, K. Korotkov, C. L. M. J. Verlinde and E. A. Merritt

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Phasing of coherent X-ray diffraction from nanocrystals

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In situ crystallization techniques: tools for crystal engineering and co-crystallization of gaseous compounds

R. Boese, D. Blaser, A. Gehrke, M. T. Kirchner and V. R. Thalladi

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Recent developments in X-ray microscopy

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Crystallography and engineering: residual stress and microstructure of materials

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New frontiers in charge density studies

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Structural mechanisms of self-assembly and polymorphic supercoiling of the bacterial flagellum

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Crystallographic lessons and functional insights from the structure of the 30S subunit

V. Ramakrishnan

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Mobility, flexibility and inhibition of peptide bond formation

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What high pressure can do for you

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New superconductor MgB₂ and related compounds

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Exploiting protein structure in the post genome era

M. J. E. Sternberg, R. Alves, R. Chaleil, L. A. Kelley, S. A. Islam, R. M. MacCallum and A. Muller

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Pressure-tuned crystal chemistry: H-bonds vs central forces at phase transitions and in polymorphs

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The good, the bad and the ugly: experiences at the synchrotron

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X-ray structures of the universal translation initiation factor IF2/eIF5B: conformational changes on GDP and GTP binding

A. Roll-Mecak, C. Cao, T. E. Dever and S. K. Burley

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The disulfide bond isomerase DsbC is specifically activated by the IG fold domain of the electron transporter DsbD

P. W. Haebel, D. Goldstone and P. Metcalf

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Extracellular portions of EGF receptor with TGFa and ErbB-2

T. P. J. Garrett, M. Z. Lou, N. M. McKern, T. E. Adams, G. O. Lovrecz, R. N. Jorissen, E. C. Nice, A. W. Burgess and C. W. Ward

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Crystal structure of a bacterial RNA polymerase holoenzyme at 2.6 Å resolution

D. G. Vassylyev, S. Sekine, O. Laptenko, J. Lee, M. N. Vassylyeva, S. Borukhov and S. Yokoyama

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A structural view of protein methylation

X. Cheng, J. Horton, S. Khan and X. Cheng

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Structure of the platelet glycoprotein Iba N-terminal domain reveals an unmasking mechanism for receptor activation

E. Jonas, S. Uff, J. Clemetson, K. Clemetson and T. Harrison

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Structure of dengue virus: implications for flavivirus organization, maturation, and fusion

M. Rossmann, R. Kuhn, W. Zhang, S. Pletnev, J. Corver, E. Lenches, C. Jones, S. Mukhopadhyay, P. Chipman, E. Strauss, T. Baker and J. Strauss

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Uncoating of human rhinovirus 2

E. A. Hewat, E. Neumann and D. Blass

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ATP-bound states of GroEL and GroEL-GroES captured by cryo-EM and single particle image processing

N. Ranson, G. Farr, A. Roseman, B. Gowen, W. Fenton, A. Horwich and H. Saibil

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Release factor-ribosome interactions revealed by combination of cryo-electron microscopy and crystallography

B. P. Klaholz, T. Pape, A. G. Myasnikov, A. V. Zavialov, E. Orlova, M. Ehrenberg and M. van Heel

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Observing metastable states using time resolved high temperature diffraction data

M. J. Kramer, D. J. Sordelet, N. Yang, A. I. Goldman and P. L. Lee

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High-energy X-ray diffraction studies of battery materials by polychromatic and monochromatic radiation

V. Rossi Albertini, F. Ronci, P. Perfetti, P. Reale, B. Scrosati, S. Panero, M. Di Michiel and J. M. Merino

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The development of high energy powder diffraction at SRI-CAT and the future dedicated high energy X-ray scattering facility HEX-CAT at the Advanced Photon Source

P. L. Lee, A. P. Wilkinson, S. D. Shastri and D. R. Haeffner

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High energy X-rays for the study of orientational order in noncrystalline materials

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Solid form characterisation in the pharma industry using high throughput automated screening, manual investigation and process

P. Higginson, R. Docherty and R. Storey

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High-throughput X-ray diffraction for polymorph screening

C. W. Lehmann and J. Mazurek

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High throughput screening techniques for pre-formulation: salt selection and polymorph studies

P. Desrosiers, E. Carlson, W. Chandler, H. Chau, P. Cong, R. Doolen, C. Freitag, S. Lin, C. Masui, E. Wu, T. Crevier, D. Mullins, L. Song, R. Lou, J. Zhan, A. Tangkilisan, Q. Ung and K. Phan

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High-throughput screening in solid form selection

A. van Langevelde and E. Blomsma

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Crystallization in capillary spaces: advantages to automated solid form selection

G. P. Stahly, L. J. Chyall, B. C. Stahly and D. A. Coates

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Low-density elimination method applied to quasicrystals

H. Takakura, A. Yamamoto, M. Shiono, T. J. Sato and A. P. Tsai

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Combined cohesive energy and diffraction data refinement of D-AlNiCo quasicrystal structure

M. Mihalkovic, C. L. Henley and M. Widom

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Comparative structural refinement of decagonal Al-Co-Ni-Edagawa superstructure

A. Cervellino, W. Steurer and C. Giacovazzo

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Molecular dynamics study of an incommensurately modulated structure

G. Chapuis and Y. Pan

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Variation of q and its relation to the structural features in Ca₂CoSi₂O₇

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Time-resolved X-ray studies of stress induced changes in polymer structure

W. Fuller, A. Mahendrasingam, C. M. Martin, D. J. Blundell and A. K. Wright

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Equilibrium and non-equilibrium conformations in liquid crystalline polymers: a neutron scattering approach

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Polymers at curved interfaces: microemulsions droplets decorated by block copolymers

J. S. Pedersen and C. Sommer

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The effect of shear on the structure of thermoplastic elastomer gels

K. Mortensen, E. Theunissen, H. Reynaers, R. Kleppinger and K. Almdal

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Maturation and quasiequivalence in the covalently linked capsid of phage HK97

L. Liljas, C. Helgstrand, W. R. Wykoff and J. E. Johnson

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The atomic structure of a double shelled virus, rice dwarf virus

A. Nakagawa, N. Miyazaki, J. Taka, H. Naitow, A. Ogawa, Z. Fujimoto, H. Mizuno, T. Azuma, Y. Watanabe, T. Omura, R. H. Cheng and T. Tsukihara

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Structure of the bacteriophage φ29 DNA packaging motor

M. Rossmann, A. Simpson, Y. Tao, P. Leiman, M. Badasso, Y. He, P. Jardine, N. Olson, M. Morais, S. Grimes, D. Anderson and T. Baker

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The structure of a paramyxoviral fusion protein - a novel paradigm for the mechanism of membrane fusion

M. C. Lawrence, L. Chen, J. J. Gorman, L. J. Lawrence, J. McKimmBreschkin, B. J. Smith and P. M. Colman

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HIV integrase: from structure to drug design

J. C. H. Chen, L. J. W. Micercke, J. Krucinski, A. H. Tang, J. S. Finer-Moore, A. D. Leavitt and R. M. Stroud

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Enzymes: evolution of function from a structural perspective

J. Thornton, R. A. Laskowski, G. Bartlett, C. Porter, A. Todd and C. Orengo

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Evolutionary footprints from ancient times: the novel use of common folds in the biosynthetic pathway for cobalamin

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Mechanism of succinyl-CoA synthetase

M. E. Fraser and W. T. Wolodko

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Structural and functional analyses of dihydroorotase from Escherichia coli

H. M. Holden, J. B. Thoden and F. M. Raushel

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Magneto electricity as revealed by neutron polarimetry

P. J. Brown, J. B. Forsyth and F. Tasset

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Resolving spin and orbit magnetism with X-ray scattering

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Molecular magnetism, from neutron images to theory

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Maximum entropy Fourier maps, a standard for crystal imaging

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X-ray-neutron experimental complementarity for magnetic studies

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Subtleties in crystal structure solution from powder data: ranitidine HCl

P. W. Stephens and A. Huq

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Usefulness of X-ray powder diffraction in the pharmaceutical industry

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Investigation of polymorphism and stability in the artemisinin family of anti-malarials by solvothermal crystallization

I. D. Williams, F.L.-Y. Shek, S.M.-F. Lo, R. K. Haynes, H.-W. Tsang, L-M. Lai, J. A. Cha and K. Suwinska

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Structural elucidation of terbinafine HCl from powder X-ray diffraction

E. Tedesco and S. Pfeffer

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Which is the real cell? - locating the correct indexing solution from merit-map topography with MMAP

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The quasicrystal-to-crystal transformation – unit cluster approach for decagonal quasicrystals

T. R. Welberry and H. Honal

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X-ray and neutron diffuse scattering of decagonal quasicrystals at temperatures up to 1000°C

F. Frey, E. Weidner, K. Hradil and M. de Boissieu

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Phasons fluctuations in icosahedral phases

M. de Boissieu, H. Takakura, M. Bletry and A. P. Tsai

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How perfect can a quasicrystal be?

F. Schmithusen, M. Belakhovsky, M. Bletry, M. de Boissieu, J. Chevrier, F. Comin, G. Faigel, S. Marchesini, M. Tegze and G. Torricelli

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Structural modulation of Rb₂ZnCl₄ near the lock-in transition

I. Aramburu, K. Friese, W. Morgenroth, G. Madariaga, T. Breczewski, M. Aroyo and J. M. Perez-Mato

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Organoplatinum supermolecules for gas-triggered crystalline switches

G. van Koten, M. Albrecht, A. L. Spek and M. Lutz

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DNA-planar copper complexes interaction, π-π stacking vs H bond

R. Moreno-Esparza, S. Escalante-Tovar and L. Ruiz-Ramirez

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The coordination and catalytic properties of the 1,1′-diphenyl-3,3′,4,4′-tetramethyl-2,2′-biphosphole

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Water soluble catalysis - ligands and complexes

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Argentophilicity in multiple salts of silver

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Induced fit recognition of m7GpppG by the human nuclear cap-binding complex

S. Cusack, C. Mazza, A. Segref and I. Mattaj

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Structural biology of eukaryotic transcription initiation

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Structure and function of the Ruv complex

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Structural aspects of gene expression by AML1/CBFβ, c-MYb, AMV v-Myb, C/EBFβ and Ets-1

T. H. Tahirov, K. Sato, T. Inoue-Bungo, E. Ichikawa-Iwata, M. Sasaki, A. Fujikawa, M. Shiina, S. Takata, K. Kimura, H. Morii, T. Kumasaka, M. Yamamoto, S. Ishii and K. Ogata

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A photoreceptor poised for light activation

U. K. Genick and E. D. Getzoff

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Xylanase at ultra high 0.89 Å (100 K) and atomic 1.11 Å (293 K) resolutions: evidence for salt bridge plasticity

S. Ramakumar, R. Natesh, K. Manikandan, P. Bhanumoothy and M. A. Viswamitra

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Acorn and its applications

J. X. Yao, M. M. Woolfson, K. S. Wilson and E. J. Dodson

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Combining atomic resolution crystallography and quantum mechanics: a study of trypsin from Fusarium oxysporium

A. Schmidt, W. Rypniewski and V. Lamzin

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Cataract mutant and native human γD crystallin contact at 1.2 Å resolution

A. K. Basak, O. A. Bateman, J. Pande and C. Slingsby

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In-situ observation of crystallization processes of N-alkanes in oil-in-water emulsion by synchrotron radiation SAXS/WAXS-DSC simultaneous measurements

K. Sato and S. Ueno

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Solvent dependency on polar morphology

C. Stoica, P. Verwer, H. Meekes and P. van Hoof

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Hydrothermal growth of piezoelectric crystals homeotypes of α-quartz

D. Balitsky, V. Balitsky, P. Shvansky, A. Motchany, Yu. Pisarevsky, Ph. Papet, O. Cambon and E. Philippot

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Use of ATR-FTIR for control of batch crystallization

K. Berglund, L. Feng and F. Wang

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Using SAXS and WAXD for in situ observation of crystallisation from liquid phases

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Exploring the magnetic, electrical and structural properties of transition-metal oxide perovskites

P. M. Woodward, P. Karen, J. Goldberger, P. N. Santhosh and T. Vogt

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Recent NMR and MuSR results on phase separation in manganites

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Phase separation scenario in the La_5/8−yPr_yCa_5/8MnO₃ series by synchrotron and neutron diffraction

M. A. G. Aranda, J. A. Collado, C. Frontera and J. L. GarciaMunoz

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Magnetic Compton scattering study of double perovskite Sr₂FeMoO₆

A. Deb, N. Hiraoka, M. Itou, Y. Sakurai, A. Koizumi, Y. Tomioka and Y. Tokura

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Synthesis and structural studies of a new perovskite system: Pb(Bi)MnO₃

C. Bougerol, M. F. Gorius, P. Bordet and I. E. Grey

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Size-strain round robin: first results and the comparative analysis of the measurements

D. Balzar, N. Audebrand, M. R. Daymond, A. Fitch, A. Hewat, J. I. Langford, A. Le Bail, D. Louer, O. Masson, N. C. Popa, P. W. Stephens and B. Toby

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Microbeam X-ray diffraction measurement of strain

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New approach to residual stresses and phase analysis due to grazing angle X-ray diffraction geometry

S. Skrzypek, W. Ratuszek and A. Baczmanski

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Measuring strain in individual grains of CVD diamond

M. Golshan, D. Laundy, M. Moore, P. F. Fewster and J. E. Butler

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Electrodeposition in the organic solvent of microcrystalline Ag-Ni alloys

I. K. Bdikin, G. K. Strukova and S. A. Zver'kov

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Polymer-assisted formation of polyoxomolybdates

B. Chu, T. Liu, Q. Wan and C. Burger

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Scanning-SAXS: a tool for structural characterization of complex materials at the micrometer and the nanometer scale

O. Paris, H. Gupta, W. Tesch, P. Roschger and P. Fratzl

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Applications of multiple small-angle neutron scattering

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Small-angle scattering, a tool to characterize Ni-base superalloys at high temperature

R. Gilles, P. Strunz, D. Mukherji, S. Roth, A. Wiedenmann, J. Roesler and H. Fuess

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X-ray complex on the basis of Kumakhov capillary optics for microelectronics investigations

N. Ibraimov, S. V. Nikitina, O. V. Mikhin, A. V. Mozhaev, D. Malagodi and S. Srinivasan

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Enhancement effects observed in grazing-incidence non-specular X-ray reflection from multilayers

K. Sakurai and S. Kuwajima

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Caught in the act of catalysis

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Time-resolved macromolecular crystallography: molecular movies?

K. Moffat, V. Srajer, R. Pahl, Z. Ren, M. Schmidt, S. Anderson, S. Crosson, B. Perman, S. Rajagopal, H. Ihee, D. Bourgeois and M. Wulff

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Complexity of the structural dynamics of myoglobin: a study by time resolved Laue crystallography

M. Brunori, B. Vallone, A. Arcovito, A. E. Miele, G. Sciara, F. Schotte, M. Wulff, P. Anfinrud and D. Bourgeois

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Snapshots of serine protease catalysis: unravelling the mechanism of deacylation

R. C. Wilmouth, K. Edman, R. Neutze, P. A. Wright, I. J. Clifton, T. R. Schneider, C. J. Schofield and J. Hajdu

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Cryophotolysis of caged compounds and UV-visible fluorescence spectrophotometry as a tool to study the dynamics of crystalline proteins

D. Bourgeois, M. Weik, X. Vernede, A. Royant, E. Fioravanti and T. Ursby

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MAID: a new software routine that automates the fitting of protein electron density maps

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Use of xenon in practice

S. Panjikar and P. A. Tucker

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Coordinate error estimation of a set of free atoms

P. Zwart and V. Lamzin

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Sulfur phasing and direct crystallography

B. C. Wang, Z.-J. Liu, Z.-Q. Zeng, J. Habel, M. G. Newton, G. Rosenbaum, J. Fait, J. Chrzas and J. P. Rose

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Conditional dynamics: refinement and phasing by N-particle optimization

P. Gros and S. H. W. Scheres

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Cryo-crystallography. The lower the temperature, the better?

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Low temperature metastable magnetic states in iron(II) complexes

P. Guionneau, M. Marchivie, J. A. K. Howard, A. E. Goeta, J. F. Letard and D. Chasseau

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High resolution powder diffraction studies at low temperature

A. Fitch, M. Brunelli and A. J. Mora

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Low temperature: a 'non-innocent' must for accurate electron density studies

P. Macchi and A. Sironi

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Development of LTV camera at SPring-8 and valence ordering structures of MMX chain compounds

K. Toriumi, M. Mitsumi, Y. Ozawa, K. Kusaka, H. Kitagawa and T. Mitani

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Neutron diffraction studies of oxygen ion conductors

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Polymer electrolytes - from crystal structure to conductivity

Y. G. Andreev, I. Martin-Litas, Z. Gadjourova and P. G. Bruce

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In situ XAFS analysis of electrochemical reactions in rechargeable lithium batteries

I. Nakai, R. Kodama, M. Yamada, T. Kubo and Y. Terada

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Soft hydrothermal synthesis and structural characterization of M $^{+}_{2}$ _M $^{+2}$ P₂O₇ compounds

G. Gopalakrishna, J. Shashidhara and K. Govindappa

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Extended co-operativity in Li-ion insertion/extraction processes

T. Gustafsson, H. Bjork, J. Howing and J. Thomas

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TEM investigations on microcrystalline SiO₂

G. Miehe, C. Wahl and H. Fuess

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Simultaneous crystal structure refinement of multiple phases in diffraction-coincident intergrowths

T. Balic-Zunic, E. Makovicky, V. Petricek and D. Topa

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New metastable Al₂SiO₅ polymorphs: unexpected results of theoretical calculations

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Analysis of inorganic structures through the charge distribution method: recent extensions

M. Nespolo, G. Ferraris and R. Hoppe

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Modelling structures by modular crystallography: the layer titanosilicates

G. Ferraris, E. Belluso, A. Gula, P. Nemeth and S. V. Soboleva

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Crystal structures and topology of new Ba borates

D. Yu. Pushcharovsky, S. A. Golubeva, E. R. Gobechia, S. Merlino, M. Pasero and O. Ferro

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Hard X-ray microdiffraction on soft materials

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3D-XRD: 3-dimensional maps and dynamics of grains

H. F. Poulsen, L. Margulies, E. M. Lauridsen, S. Schmidt, S. F. Nielsen and G. Winther

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Submicron resolution 3D X-ray structural microscopy

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Structural chemistry of natural nanoparticles via synchrotron micro-SXRF, -SXRD, and -EXAFS

A. Manceau, N. Tamura, M. A. Marcus, A. A. MacDowell and H. A. Padmore

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Uniaxial plastic deformation of polycrystalline Cu and Al thin films studied on a grain by grain basis utilizing X-ray microdiffraction

R. Spolenak, N. Tamura, B. Valek, W. L. Brown, A. A. MacDowell, R. C. Celestre, H. A. Padmore, J. C. Bravman, B. W. Batterman and J. R. Patel

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The influenza virus antigen, neuraminidase

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The MHC family of proteins in immune and non-immune recognition

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T cell receptor-MHC recognition

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Cryo electron microscopy shows that myosin switch 1 opens on strong binding to actin

K. C. Holmes, I. Angert, W. Jahn and R. R. Schroeder

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Structural basis for site-specific recognition of nucleosomal DNA

K. Luger, R. K. Suto, R. Edayathumangalam, J. Gottesfeld, C. Melander and P. B. Dervan

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Crystal structure of colicin e3: implications for ribosome inactivation and cell entry

M. Shoham, N. Wu, S. Soelaiman, K. R. Dickman, A. P. Kosmidis, C. Li and K. Jakes

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Proton pump mechanism deduced from high resolution structures of bovine heart cytochrome c oxidase

K. Muramoto, H. Aoyama, K. Hirata, E. Yamashita, T. Akitsu, T. Tsukihara, K. Shinzawa-Itoh, H. Shimada and S. Yoshikawa

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Crystal structure of CodW in Bacillus subtilis - the first N-terminal serine protease

S. Eom, H. Park, S. Rho, Y. Lim, M. Kang, B. Lim, I. Seong, J. Wang and C. Chung

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The search for a better analgesic

J. R. Deschamps, J. L. Flippen-Anderson and C. George

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Charge density studies as a tool in drug design

D. E. Hibbs, T. W. Hambley, G. A. R. Johnston and J. R. Hanrahan

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Analysis of crystal packing effects using Relibase⁺

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A search for new tumor necrosis factor-α secretion enhancement agents

J. K. Maurin, A. Gorska, M. Wamil, J. Mlynarczyk, W. Lasek and Z. Kazimierczuk

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From polypeptides to protein properties using a charge density approach

C. Lecomte, B. Guillot, C. Jelsch, N. Muzet and V. Pichon-Pesme

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Hirshfeld surfaces in molecular and ionic crystals: applications to crystal engineering and comparisons with Bader's atomic and molecular volumes

M. A. Spackman, X. Meng, J. J. McKinnon and A. S. Mitchell

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Magnetization densities in ferromagnets

M. J. Cooper, J. A. Duffy, J. W. Taylor, A. M. Bebb, L. Bouchenoire, J. E. McCarthy, S. D. Brown and D. N. Timms

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Resonant X-ray scattering in strongly correlated electron systems

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Electron transfer in Kondo crystal CeB₆ and related complexes by multi-temperature EDD measurement

K. Tanaka and Y. Onuki

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Elasticity and strength of six-coordinated silicates at pressures of the earth's lower mantle: stishovite, calcium silicate perovskite, and phase D

T. S. Duffy, S. R. Shieh, G. Shen, E. Ohtani and B. Li

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Mineralogy of peridotite and basalt at the earth's lower-mantle pressures

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Novel extended phase of molecular solid CO₂

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Transformations in fluid water at high pressure and temperature

J. H. Eggert, G. Weck, P. Loubeyre, D. G. Hicks, P. M. Celliers, G. W. Collins, K. M. Lee and L. R. Benedetti

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Ab-initio simulations of low-Z fluids under pressure

G. Galli, E. Schwegler, B. Militzer, R. Hood and F. Gygi

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X-ray scattering from laterally self-modulated semiconductor superlattices

V. Holy, J. Stangl, T. Roch, G. Bauer, J. H. Li and S. C. Moss

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Strain effects in thin-film quantum wire structures

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2-D X-ray diffraction line shape analysis of oxide epitaxial layers

A. Boulle, O. Masson, R. Guinebretiere and A. Dauger

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X-ray standing waves in multilayers

S. Zheludeva, M. V. Kovalchuk and N. N. Novikova

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Structural and mechanical characterisation of TiC/VC multilayers using XRD, polarized EXAFS and nanoindentation

A. Belger, B. Wolf, T. Sebald, T. Boettger, P. Paufler, H. Mai and E. Beyer

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Electron crystallography of a zeolite

T. Ohsuna, Z. Liu, O. Terasaki and K. Hiraga

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The structural disorder in the ZSM-48 family of zeolite materials

R. Lobo, H. van Koningsveld and P. J. Kooyman

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Ti sites in TS-1: recent data and evidence

G. Artioli, C. Lamberti and G. L. Marra

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Design and structures of porous MOF crystals largely composed of nothing

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Unusual structural behavior in pure silica zeolites

P. Lightfoot, L. A. Viilaescua, I. Bull, S. J. Teat and R. E. Morris

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The development of direct-space techniques for solving crystal structures from powder diffraction data

K. D. M. Harris, R. L. Johnston, E. Y. Cheung, G. W. Turner, S. Habershon and D. A. Jove

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Towards a global methodology for direct methods: feasible sets

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Direct methods techniques for SIR, MIR, SAD, MAD, SIRAS, MIRAS

C. Giacovazzo, M. Ladisa and D. Siliqi

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Progress in structure determination of larger organic and organo-metallic compounds from powder diffraction data

R. Peschar, V. Brodski, E. Dova, R. A. J. Driessen, K. Goubitz, R. B. Helmholdt, A. J. Van Langevelde, M. M. Pop and H. Schenk

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Direct phasing in macromolecular crystallography below atomic resolution

A. Urzhumtsev, N. Lunina and V. Y. Lunin

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Electron crystallography - structure determination with poor-quality diffraction data

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Periodic ferroelectric inversion domains examined by coherent-beam X-ray imaging and diffraction

P. Thomas, T. S. Lyford, D. Walker, S. P. Collins, P. Rejmankova-Pernot, P. Cloetens and J. Baruchel

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In situ study of the dislocations movement through a grain boundary in a Fe-Si bicrystal

A. Jacques, A. George, M. Polcarova and J. Bradler

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Biomolecular crystals: from X-ray diffraction topography to reciprocal space mapping

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X-ray diffraction imaging of acoustic wave fronts in single crystals

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Synchrotron white beam X-ray topography and high resolution triple axis X-ray diffraction studies of defects in SiC substrates, epilayers and device structures

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X-ray observation of large-diameter Cz-silicon by a 300-mm-wide monochromatic beam

S. Kawado, S. Iida, Y. Chikaura and M. Umeno

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X-ray investigation of A(III)-BV semiconductors implanted with high doses of IONS

W. K. Wierzchowski, K. Wieteska, W. Graeff, A. Turos, G. Gawlik and R. Groetzschel

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Structural relationship in high pressure elemental solids

J. S. Tse, D. D. Klug and H. Tutuncu

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Shock wave synthesis of oxynitride spinels

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High pressure studies of carbon fullerites and nanotubes

N. R. Serebryanaya, V. D. Blank, G. A. Dubitsky, B. N. Mavrin, L. A. Chernozatonskii and V. A. Ivdenko

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Superconductivity at high pressure

K. Shimizu and K. Amaya

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High pressure studies and structure of electronic perovskites

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High pressure-high temperature studies on Co₂ and N₂O systems

M. S. Somayazulu

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New high pressure nitrides

A. Zerr, M. Schwarz, R. Schmechel, R. Kolb, H. von Seggern and R. Riedel

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High-energy X-ray diffraction studies of oxide glasses at SPring-8

S. Kohara, A. Kajinami and K. Suzuya

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What can neutron diffraction and chemical crystallography tell us about glass structure?

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Reverse Monte Carlo modeling of amorphous alloys and covalent glasses

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Amorphous structures studied by high-energy X-ray diffraction and resonant scattering

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Hydrogen and hydration in proteins observed by high resolution neutron crystallography

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Structure and dynamics of hydrogen atoms and water molecules in/around lysozyme: a combined neutron crystallography/incoherent quasi-elastic neutron scattering study

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Detergent organisation in crystals of monomeric outer membrane phospholipase A

A. Snijder, P. A. Timmins and B. W. Dijkstra

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Mechanism of pyrophosphatase catalysed hydrolysis of pyrophosphate by X-ray and neutron diffraction

V. U. Tuominen, P. Heikinheimo, A. A. Baykov, R. Lahti and A. Goldman

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Comparative protein structure modeling of genes and genomes

A. Sali, N. Eswar, U. Pieper, M. A. Marti-Renom, M. Madhusudhan, A. Fiser and V. Ilyin

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Computational structural genomics of domain combinations

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The EBI macromolecular structure database (E-MSD) and structural genomics

K. Henrick, H. Boutselakis, D. Dimitropoulos, A. Golovin, J. Ionides, M. John, P. Keller, E. Krissinel, P. Mcneil, J. Pineda, S. Sobhany, J. Tate, A. Suarez-Uruena and S. Velankar

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Perspectives in computational molecular dynamics

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Hysteresis in first order phase transitions; is there a clash between the 'classical' and the 'actual'?

F. H. Herbstein

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Phase changes in 'solid-solid' bimolecular reactions

J. L. Scott, C. L. Raston and G. Rothenberg

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On the influence of thermal motion on the crystal structures and polymorphism of even n-alkanes

J. van de Streek, P. Verwer, P. Bennema and E. Vlieg

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Hard X-ray tomography with a microfocus source and including phase contrast

A. W. Stevenson, D. Gao, T. E. Gureyev, T. J. Davis and S. W. Wilkins

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Phase-contrast microtomography using coherent synchrotron radiation

P. Cloetens, W. Ludwig, E. Boller, J. P. Guigay, F. Peyrin, M. Schlenker and J. Baruchel

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Magnified hard X-ray imaging and tomography in absorption and phase contrast

C. G. Schroer, B. Benner, T. F. Guenzler, M. Kuhlmann, B. Lengeler, C. Rau, T. Weitkamp, A. Snigirev and I. Snigireva

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Absorption- and phase-contrast microtomography at HASYLAB/DESY

F. Beckmann, T. Lippmann and U. Bonse

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High-resolution hard X-ray phase-contrast microscope for observing transparent biological specimens

Y. Kagoshima, Y. Yokoyama, T. Niimi, Y. Tsusaka, J. Matsui, K. Takai and M. Aino

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Phase-sensitive X-ray imaging at the SYRMEP beamline of Elettra

G. Tromba, F. Arfelli, E. Castelli, D. Dreossi, R. Longo, L. Mancini, R. H. Menk, F. Montanari, A. Olivo, S. Pani, L. Rigon and F. Zanini

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Development of X-ray dark field imaging

M. Ando, H. Sugiyama, A. Maksimenko, W. Pattanasiriwisawa, K. Hyodo, E. Rubenstein, J. Roberson and Y. Tanaka

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Structural relaxation between high-density and low-density amorphous ice: an X-ray and neutron diffraction study

C. A. Tulk, C. J. Benmore, D. D. Klug, J. Uquirdi, B. Tomberli, J. Neuefeind and P. A. Egelstaff

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Structure of HDA under pressure by in-situ neutron diffraction to 2.5 GPa

S. Klotz, G. Hamel, J. S. Loveday, M. Guthrie, R. J. Nelmes and A. Soper

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Structure of permanently densified GeO₂ glass

S. Sampath, C. J. Benmore, D. L. Price, J. Neuefeind and J. Yarger

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The structure of normal and supercritical boron trifluoride and related studies

J. F. C. Turner, S. E. McLain, C. J. Benmore and J. Urquidi

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Structural transitions in amorphous silicon at high and low density

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Quantum crystallography: an overview

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Computational chemistry of macromolecules

L. Massa, L. Huang and J. Karle

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High-resolution Compton scattering as a probe of correlation and bonding effects

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Spectral momentum densities in matter determined by electron scattering

E. Weigold, A. S. Kheifets and M. Vos

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Covalent incorporation of selenium into oligonucleotides for X-ray crystal structure determination via MAD

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Crystal structures of damaged/modified DNAs and mutagenesis

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Crystal structures of acridine-4-carboxamides complexed with the DNA hexanucleotide d(CGTACG)2

A. Adams, J. M. Guss, W. A. Denny and L. P. Wakelin

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Daunomycin/d(TGGGGT): the first crystal structure of a drug bound to a G4-quadruplex DNA telomere

G. R. Clark, P. D. Pytel, C. J. Squire and S. Neidle

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X-ray crystal structures of antibiotic-RNA complexes

Q. Vicens and E. Westhof

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Automated crystal mounting and alignment system at the advanced light source

T. Earnest, G. Snell, C. Cork, G. Meigs, R. Nordmeyer, E. Cornell, D. Yegian and J. Jin

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The ARP/wARP suite for the automation of crystal structure determination

V. S. Lamzin and A. Perrakis

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High throughput protein crystallography and current applications

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Automated structure solution, density modification and model building for MAD, SAD and MIR

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High-throughput cell-free protein expression systems in structural genomics/proteomics

S. Yokoyama and T. Kigawa

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Validation from an editorial viewpoint

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Automated detection of poor or incorrect single crystal structures

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Adventures of a Data Validation Editor

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Validation during structure refinement using 'CRYSTALS'

R. I. Cooper and D. Watkin

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A code of standards: validation of protein structures in the era of structural genomics

J. Hendle and J. Badger

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Structure, magnetism and superconductivity of ruthenocuprates

J. P. Attfield and A. C. Mclaughlin

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The superconducting bismuth-based mixed oxides

E. V. Antipov, A. N. Baranov, N. R. Khasanova, J. S. Pshirkov, S. N. Putilin, C. Bougerol, O. I. Lebedev and G. Van Tendeloo

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Evidence against lattice expansion as the sole explanation for T_c increase in chloroform- and bromoform-intercalated C₆₀

R. E. Dinnebier, O. Gunnarsson, H. Brumm, A. Huq, P. W. Stephens and M. Jansen

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X-ray diffraction study of the superconductor MoRuP prepared at high pressure

W. Wong-Ng, J. A. Kaduk and I. Shirotani

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Phase diagram of nitrogen at high pressures and temperatures

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Pseudomartensitic transformation at high pressures

J. Chen, P. Raterron, D. Weidner, J. Parise and M. Vaughan

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High-pressure crystal structures of hydrogen bonded small molecules

P. A. McGregor, D. R. Allan, S. Parsons, A. Dawson, C. R. Pulham and S. J. Clark

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Neutron diffraction studies of minerals at high pressure and temperature

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Complexity in the hitherto simple metals

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New shapes in surfactant self-assembly: from soft to stiff structures and from finite to infinite sizes

C. Vautrin, B. Deme, M. Dubois, A. Meister, Th. Gulik-Krzywicki and Th. Zemb

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A soft matter random-field system: the nematic to smectic-A transition in an 8OCB-aerosil dispersion

P. S. Clegg, C. Stock, C. W. Garland, R. J. Birgeneau, A. Roshi and G. S. Iannacchione

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Polyelectrolyte diblock copolymer micelles studied by SANS

J. R. C. van der Maarel, W. Groenewegen, S. U. Egelhaaf and A. Lapp

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Computationally designed inhibitors of the low molecular weight phosphatase HCPTP

C. V. Stauffacher, A. P. R. Zabell, I. Katsuyama, P. Helquist and O. Wiest

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Temperature-dependent three-dimensional small angle scattering in semicrystalline polymers

J. D. Barnes, W. Bras and R. Kolb

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Overview of IUCr journals

J. R. Helliwell

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Journal of Applied Crystallography

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Journal of Synchrotron Radiation: current status and issues

D. M. Mills, S. S. Hasnain and H. Kamitsubo

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Creation of a crystallographic library - digitization of IUCr journals

P. R. Strickland and M. Hoyland

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Developments in the Crystallography Journals Online service

B. McMahon, D. Hoare, D. Holden, M. A. Hoyland, K. Moore and P. R. Strickland

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Acta Crystallographica Section A: Foundations of Crystallography

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Acta Crystallographica Section B: Structural Science

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Current Acta C emphasis

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Acta Crystallographica D: responding to an advancing discipline

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Acta Crystallographica Section E (Structure Reports Online): report for 2001

W. Clegg and D. G. Watson

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Investigation of the solid surface structural ingomogeneities by small-angle X-ray scattering

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Possibility of converting a chymotrypsin inhibitor to a trypsin inhibitor

A. Seal and J. Dattagupta

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Structure-based high throughput virtual screening for drug discovery

H. Jiang, J. Shen, X. Luo, H. Liu, F. Chen, X. Tan, J. Shen, K. Chen, I. Silman and J. L. Sussman

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A new facility for the study of materials processing on the SRS, Daresbury

R. Cernik, G. Bushnell-Wye, C. Tang, A. Dent, N. Terril, G. Diakun, P. Barnes, G. N. Greaves, T. Rayment and A. Ryan

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Probing the limits of in-house SAS phasing using focused chromium X-rays

M. G. Newton, J. P. Rose, Z.-J. Liu, J. W. Pflugrath, C. Yang, J. D. Ferrara and B. C. Wang

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Small molecule crystallography using a big molecule diffractometer

J. P. H. Charmant, A. Kantacha and H. E. Lyon

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A small angle scattering optics of cmf multilayer mirror

Y. Iwasaki, K. Hoshino and T. Taguchi

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Development of a time-resolved X-ray diffraction and rocking curves of pulse heated LiF

M. Koga, Y. Hayashi, E. Kuramoto and N. Tsukuda

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Performance of a highly brilliant laboratory source for small molecule crystallography

M. Kuribayashi, K. Sugimoto and A. Yamano

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Parallel beam powder diffraction in the laboratory from multilayer and crystal optics

S. T. Misture, M. R. Haluska and S. Zdzieszynski

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Characterization of photo-catalyst by laboratory XAFS

T. Taguchi, K. Tohji and K. Shinoda

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Advances in X-ray source technology for diffraction applications

T. A. Thorson, R. D. Durst, S. I. Foundling, G. J. Kerpershoek and A. B. Storm

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A NIGMS East Coast structural biology facility

M. Allaire, L. E. Berman, E. D. Johnson, D. P. Siddons, Z. Yin and V. Stojanoff

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X-ray standing wave microscopy permits chemical microanalysis with atomic resolution

M. Drakopoulos, J. Zegenhagen, A. Snigirev, I. Snigireva, K. Eberl, V. V. Aristov, L. Shabelnikov and V. Yunkin

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Method for position sensitive X-ray absorption spectroscopy

B. Hasse and T. Wroblewski

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Software to manage the synchrotron experience: experimental control and a database

A. Heroux, H. Robinson, J. Skinner, M. Cowan, H. Bosshard, B. Nolan and R. Sweet

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Polarization effects on N-beam diffraction

S. Kycia and S. Morelhao

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The high resolution 6-circle-diffractometer for protein crystal quality investigations at HASYLAB

D. Luebbert, A. Meents, H. Franz and E. Weckert

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Investigation of lateral heterostructures of inversion domains in LiNbO₃, KTiOPO₄ and KTiOAsO₄

T. Lyford, P. Thomas, P. Rejmankova, P. Cloetens, J. Baruchel, S. Collins and D. Laundy

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ID23: a new beamline complex for macromolecular crystallography at the ESRF

E. Mitchell, T. Mairs and S. McSweeney

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Reconstruction of diffuse scattering from CCD synchrotron data. Example Nd₂GeMoO₈

C. Paulmann, R. Kurtz and U. Bismayer

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ACTOR: automated crystal transport, orientation and retrieval

J. W. Pflugrath, R. Athay, D. P. Edwards, T. J. Niemeyer, T. L. Hendrixson, A. R. Criswell, C. Yang, G. K. Crane, J. D. Ferrara, T. Nienaber, W. Robertson and R. Schafer

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A new application of large lens-coupled CCD X-ray detectors

J. Phillips, R. Durst, A. Thompson and S. Teat

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The Canadian Light Source (CLS) and the Canadian Macromolecular Crystallography Facility (CMCF)

J. W. Quail, L. T. J. Delbaere, E. Bergmann, P. Grochulski and E. Hallin

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Dose rate vs dose dependency of radiation damage to protein crystals

P. Sliz, S. C. Harrison and G. Rosenbaum

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Development of a crystallography beamline for micron size crystals

A. Thompson, H. A. Padmore, H. He, A. A. MacDowell, A. M. Khounsary, S. J. Teat, F. J. Hollander and A. G. Oliver

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Collaboratory for macromolecular crystallography at SSRL

T. Eriksson, H.-J. Chiu, K. Sharp, T. McPhillips, S. McPhillips, N. Sauter, M. Soltis and P. Kuhn

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Image-plate system with on-site reading process for highly efficient data collection in synchrotron powder diffraction

H. Fuess, H. Ehrenberg, M. Knapp and C. Baehtz

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X-ray analytical microscope with Kumakhov's X-ray polycapillary lens

G. I. Borisov, M. G. Ermak, S. I. Zhmylev, V. D. Odinov, A. V. Poukhov, D. Malagodi and S. Srinivasan

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X-ray complex for phase plus elemental analysis of inorganic matter

C. Likhoushina, N. S. Ibraimov, S. V. Nikitina, E. M. Burova, D. Malagodi and S. Srinivasan

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Use of Kumakhov's optics in portable diffractometer for stress-strain plus elemental analysis

A. V. Lutsau, A. D. Zvonkov, A. V. Kotyolkin, D. B. Matveev, S. V. Nikitina, N. S. Ibraimov, D. Malagodi and S. Srinivasan

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Experimental study of protein crystallography systems based on current laboratory generators and optimized cmf optics

K. Tesh, A. Criswell, A. Courville, C. Yang, J. Ferrara, M. Kuribayashi, B. Verman and L. Jiang

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DESY plans for the upgrade of storage ring based sources for synchrotron radiation

E. Weckert, K. Balewski, W. Brefeld, F. Brinker, W. Decking, W. Drube, H. Franz, P. Guertler, U. Hahn, O. Kaul, J. Pflueger, H. Schulte-Schrepping, M. Tischer and J. Schneider

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Single crystal diffractometer for control of wafer shear planes against specified crystal plane

A. D. Zvonkov, N. S. Ibraimov, S. V. Nikitina, C. Likhoushina, D. Malagodi and S. Srinivasan

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A scanning microscope for hard synchrotron X-radiation

M. Moore, V. T. Petrashov, D. Laundy, R. Shaikhaidarov and J. J. Allerton

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A scattering users' bill of rights

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X-ray diffraction screening techniques for biological single crystals

F. Jin, B. He, M. Ruf, C. Bauer, S. Byram and R. Durst

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New indexing and data processing methods for the analysis of twinned crystals

C. F. Campana, R. W. W. Hooft, L. H. Straver, J. L. Chambers, A. M. M. Schreurs and A. J. M. Duisenberg

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Locating non-crystallographic symmetry elements: the program FIND2FOLDS

P. Dunten and M. Hennig

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X-rays and neutrons for the investigation of cement

V. K. Peterson, B. A. Hunter and A. Ray

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Extending the power of the direct methods modulus sum function

J. Rius, X. Torrelles and C. Miravitlles

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The 3-dimensional structure of Ca-depleted human C-reactive protein from perfectly twinned crystals

T. J. Greenhough, M. A. M. Ramadan, A. K. Shrive, D. Holden, D. A. A. Myles, L. J. DeLucas and J. E. Volanakis

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Solution and refinement of a merohedrally twinned single crystal

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Difficult phasing in solving the structure of eukaryotic glutamine synthetase II

H. Li, G. M. U. Pfluegl, C. Kiang, M. Gingery and D. Eisenberg

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Space group choice by statistical testing

A. Olech, K. Stadnicka and S. Hodorowicz

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9,10-Phenanthrenequinone: not your average structure

A. D. Rae and A. C. Willis

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Reconstruction of X-ray images from speckle patterns by iteration

J. Spence, H. He, M. Howells, S. Marchesini, U. Weierstall and G. Hembree

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Multiple rotation function

A. Urzhumtsev and L. Urzhumtseva

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Difference Patterson maps for improving many-body searches in molecular replacement

C. Alvarez-Rua, J. Borge and S. Garcia-Granda

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Locating small structural fragments using a vector-search rotation function

J. Borge, C. Alvarez-Rua and S. Garcia-Granda

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Expanding the power of SIR2001

M. C. Burla, B. Carrozzini, G. L. Cascarano, C. Giacovazzo and G. Polidori

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Direct-methods improved MAD phasing

H. F. Fan, Y. X. Gu, B. D. Sha and F. Jiang

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On integrating the techniques of direct methods and SIRAS. I. The theoretical basis

H. Hauptman and H. Xu

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Enhanced triple-phase measurements at π/2 scattering geometry

S. Morelhao and S. Kycia

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Phase problem in crystallography as the angular momentum eigenvalue problem

P. Bhanumoorthy

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New algorithm to deduce individual structure-factor phases by reference-beam diffraction

Q. Shen and J. Wang

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Integrating direct methods into a semi-automated, protein-phasing package

C. M. Weeks, R. H. Blessing, R. Miller, R. Mungee, S. A. Potter, J. Rappleye, G. D. Smith, H. Xu and W. Furey

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On integrating the techniques of direct methods and SIRAS. II. The initial applications

H. Xu and H. Hauptman

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Crystal structure of a coronavirus main proteinase: TGEV Mpro

K. Anand, G. Palm, J. Mesters, J. Ziebuhr and R. Hilgenfeld

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Crystallographic studies of Thermus thermophilus UDP-N-acetylglucosamine 2-epimerase at 2.28 Å resolution

B. Bagautdinov, N. Kunishima, K. Nishio, A. Paehler and M. Miyano

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SAD/MAD phasing at high resolution using tantalum bromide cluster

S. Banumathi, M. Dauter and Z. Dauter

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Theoretical and practical aspects of phasing with radiation damage

D. Borek, W. Minor and Z. Otwinowski

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In-house phasing with iodide soaks

G. Bunkoczi, J. E. Debreczeni, J. Kaercher and G. M. Sheldrick

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Macromolecular structure determination by the SAD method using a coloured uranyl complex

M.-L. Chesne, O. Bertrand, J. Vicat and R. Kahn

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X-ray extended-range technique for precision measurement of the X-ray mass attenuation coefficient and IM(F) for molybdenum using synchrotron radiation

M. D. de Jonge, C. Q. Tran, Z. Barnea, B. B. Dhal, D. J. Cookson and C. T. Chantler

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In-house measurement of the anomalous signal of sulfur and its use for phasing

J. E. Debreczeni, G. Bunkoczi, Q. Ma and G. M. Sheldrick

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Extracting weak SAS signal by using 3D experimental error correction models with free-R type tests

Z. Q. Fu, J. P. Rose and B. C. Wang

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A new class of lanthanide complexes to obtain high phasing-power heavy-atom derivatives for high-throughput macromolecular crystallography

E. Girard, G. Sainz, M. Stelter, J. Vicat and R. Kahn

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Data collection strategies for fast structure determination

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Protein MIR phases improved by direct methods

Y. X. Gu, W. R. Chang, T. Jiang, C. D. Zheng and H. F. Fan

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Combining selenomethionine and selenocysteine protein labelling for MAD experiment: a promising method for the structural genomics

F. Hoh, M. P. Strub, J. F. Sanchez, J. M. Strub, A. Bock, A. Aumelas and C. Dumas

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Recognition of structural fragments in crystallographic electron density maps

O. V. Kirillova, P. H. Zwart and V. S. Lamzin

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Phase determination by wavelength-modulated diffraction. 2. Noncentrosymmetric case

T. Koganezawa, Y. Yoshimura, N. Nakamura and H. Iwasaki

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Direct methods versus SIR, MIR, SAD, MAD, SIRAS, MIRAS: the first applications

M. Ladisa, C. Giacovazzo and D. Siliqi

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Practical aspect of sulfur single-wavelength anomalous scattering phasing

Z.-J. Liu, J. P. Rose and B. C. Wang

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α-D-glucuronidase: experiences with a SAD experiment in space group P1

D. Nurizzo, J. Turkenburg, T. Nagy, H. Gilbert and G. Davies

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Finding the anomalous scatterers from a MAD experiment via direct methods

G. Polidori, M. C. Burla, B. Carrozzini, G. L. Cascarano, C. Giacovazzo and D. Siliqi

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MAD phasing of highly merohedrally twinned crystals of interleukin 1-β

M. G. Rudolph, M. S. Kelker, P. A. Jennings and I. A. Wilson

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How critical are absorption corrections for phasing Bragg reflections with the MAD method at wavelengths between 3 and 6 Å?

H. B. Stuhrmann, P. Carpentier, P. Boesecke, J.-M. Bois, M.-L. Chesne, R. Kahn, S. Kozielski-Stuhrmann and J. Vicat

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Powder quantitative analysis without Rietveld using SNAP-1D

G. Barr, C. Gilmore and J. Paisley

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WinLALS and PreLALS: linked-atom least-squares program and visual workbench for helical polymers

K. Okada, K. Noguchi, K. Okuyama and S. Arnott

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Crystallographic fortran modules library (CFML): a simple toolbox for computing programs

J. Rodriguez-Carvajal and J. Gonzalez-Platas

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The ultimate fast Fourier transform for crystallography

M. Rowicka, A. Kudlicki and Z. Otwinowski

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Deriving protein flexibility from crystal structures - new tools for an old problem

T. R. Schneider

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Further enhancement of SYSTER and SYSTERPLOT, a tool to evaluate systematic errors

J. M. M. Smits and R. de Gelder

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Weights from good estimate of standard uncertainties of the intensities

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Experimental vs theoretical geometries in manganese complexes

J. F. Van der Maelen Uria, S. Garcia-Granda and J. Ruiz

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The structure and thermal motion of B800-850 LH2 complex from Rps. Acidophila at 2.0 Å: functionally relevant motion

M. Z. Papiz, S. M. Prince, T. Howard, R. J. Cogdell and N. W. Isaacs

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Lipid-protein interactions in membranes: a molecular modelling study

M. Pasenkiewicz-Gierula, M. Markiewicz, A. Gieldon, C. Czaplewski and J. Ciarkowski

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Approaches to modeling protein flexibility during drug design

A. Anderson, R. O'Neil, R. Lilien, B. Donald and R. Stroud

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The structure of a novel RNA-binding and translocating protein – TBRBP

J. D. Robertus and J. M. Pascal

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Structures of molecular chaperone ClpB reveals its mechanisms for regulated peptide binding

B. Sha and J. Li

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Studies on the desosamine pathway may aid in the design of novel antibiotics

S. T. M. Allard, J. B. Thoden and H. M. Holden

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Crystallization and preliminary crystallographic studies of a cytokinin-specific binding proteins

G. D. Bujacz, O. Pasternak, M. Sikorski and M. Jaskolski

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Crystallization and preliminary crystallographic study of transglutaminase from Streptomyces

C.-J. Chen and C.-M. Chiang

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Elasticity of lysozyme crystals by Brillouin scattering

T. S. Duffy, S. Speziale, C. L. Caylor, S. Kriminski, C. S. Zha and R. E. Thorne

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Human complement protein, C9: expression, purification and crystallization

M. A. Dunstone, J. L. Parsons, B. A. Cromer, W. J. McKinstry and M. W. Parker

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Structure of FALS mutant CuZnSOD D125H: implications bicarbonate's role in peroxidative reactions catalyzed by CuZnSOD

J. S. Elam, K. Malek, J. A. Rodriguez, P. A. Doucette, A. B. Taylor, L. J. Hayward, D. E. Cabelli, J. S. Valentine, P. J. Hart and L. Jankova

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Structural studies of plasminogen activator inhibitor type 2

L. Jankova, S. J. Harrop, J. Andrews, K. Bechtram, A. Gould, M. S. Baker, D. N. Saunders and P. M. G. Curmi

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Characterization of truncated tumor-associated NADH oxidase (ttNOX)

L. J. Karr, C. C. Malone, D. H. Adamek, M. Burk, B. P. Moore and A. Achari

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Three dimensional structure of the suc1 mutant P90AP92A

J. Kelly, E. A. Williams, M. J. C. Wilce, D. Halas and A. B. Scafidi

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Peptides with distorted trans-proline in the counter direction but not the intermediate from trans to cis isomerization bind cyclophilin B

M. Konno, K. Okudaira, T. Sano, Y. Kawaguchi and Y. Yamagishi

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Structural studies of CDP-tyvelose 2-epimerase

N. Koropatkin, J. B. Thoden and H. M. Holden

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Crystal structures of dimeric hexokinase hkB from yeast

A. la Cour, O. P. Anderson, L. la Cour-Poulsen, D. C. Crans, T. M. Gray and E. Schonbrunn

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Structural studies of polar peptides derived from the yeast prion Sup35

R. Nelson, R. Grothe, M. Balbirnie, M. Sawaya and D. Eisenberg

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Crystallization and preliminary X-ray diffraction analysis of prostaglandin F_2α synthase from Trypanosoma brucei

Y. Okano, T. Inoue, B. K. Kubata, Z. Kabututu, C. J. Munday, Y. Urade and Y. Kai

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Statistical analysis of protein-DNA cocrystallization

R. Recacha-Castro and E. Pohl

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Evaluation of organic salts and amino acids as precipitants for protein crystallization

A. Ruf and N. Matthes

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Structure of substrate-free diol dehydratase reveals activation mechanism of adenosylcobalamin

N. Shibata, J. Masuda, T. Toraya, Y. Morimoto and N. Yasuoka

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Crystallographic study of an anti-MN/CA IX monoclonal antibody M75 Fab fragment

R. Stouracova, J. Zavada, Z. Zavadova, S. Pastorekova, J. Brynda, M. Fabry, M. Horejsi and J. Sedlacek

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Structural studies of the enzymes of the Leloir pathway

J. B. Thoden and H. M. Holden

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Macromolecular crystal growth by means of microfluidics

M. van der Woerd, D. S. Ferree, S. Spearing, L. Monaco, J. Molho, M. Spaid and M. Brasseur

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Micro-array chip for high throughput protein crystallography

N. Watanabe, T. Akita, T. Sumi, H. Takeuchi and I. Tanaka

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Crystal structure of L-homocysteine γ-lyase at 1.8 Å

T. W. Allen, V. Prasad, G. S. Prasad, R. M. Hoffman and S. Ramaswamy

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Crystal structure of full length HPr kinase/phosphatase from Mycoplasma pneumoniae

G. Allen, K. Steinhauer, W. HIllen, J. Stuelke and R. G. Brennan

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Structure determination of uracil phosphoribosyltransferase from Sulfolobus solfataricus

S. Arent, P. Harris, K. F. Jensen and S. Larsen

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Comparison of E1 from the E. coli pyruvate dehydrogenase complex with S. cerevisiae transketolase

P. Arjunan, M. Sax, W. Furey, N. Nemeria and F. Jordan

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Structural studies of Drosophila melanogaster dUTPase

O. Barabas, Zs. Dubrovay, V. Harmat, J. Kovari, E. Takacs, I. Zagyva, G. Naray-Szabo and B. G. Vertessy

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A novel combination of two classic catalytic schemes

A. Shaw, R. Bott, C. Vonhreim, G. Bricogne, A. G. Day and S. Power

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Crystallographic studies of 12-oxophytodienoate reductases from tomato

C. Breithaupt, P. Macheroux, A. Schaller, R. Huber and T. Clausen

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Crystal structure of trypanosomal trans-sialidase, a key enzyme in parasite pathogenesis

A. Buschiazzo, M. F. Amaya, M. L. Cremona, A. C. Frasch and P. M. Alzari

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A space group puzzle: E. coli porphobilinogen synthase complexed with product

H. L. Carrell, A. Katz, C. Afsher, L. Shimoni and T. Wagner

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Defining the TrpRS transition state along a dynamic domain rearrangement

C. Carter and P. Retailleau

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Classical enzymology at atomic resolution - substrate alignment and induced fit

M. S. Chapman, M. Yousef, S. A. Clark, P. Pruett, A. Azzi, J. Gattis, F. Fabiola, T. Somasundaram and W. R. Ellington

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Neutron Laue and atomic resolution X-ray studies of endothiapepsin: implications for the aspartic proteinase mechanism

L. Coates, P. T. Erskine, S. P. Wood, D. A. A. Myles and J. B. Cooper

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Structure function activity studies regarding of the crystal structures of the protein MabA wild type and mutants from Mycobacterium tuberculosis

M. Cohen-Gonsaud, S. Ducasse, A. Quemard and G. Labesse

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First structure of 20α-HSD reveals a new catalytic actor for the transformation of progesterone by an AKR

J. F. Couture, P. Legrand, L. Cantin, F. Labrie, V. L. The and R. Breton

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Structure and function of a few plant proteins

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The structures of V8 protease from Staphylococcus aureus and its complex with 3,4-dichloroisocoumarin

L. T. J. Delbaere, L. Prasad, K. Hayakawa, Y. Leduc and A. R. S. Ross

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An unusual Cys-Tyr covalent bond present in a large catalase

A. Diaz-Vilchis, E. Horjales and W. Hansberg

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The X-ray structure of yeast 5-aminolaevulinic acid dehydratase (ALAD) complexed with substrate and inhibitors

P. T. Erskine, L. Coates, S. P. Wood, P. M. Shoolingin-Jordan, R. Newbold, A. A. Brindley, M. J. Warren, F. Stauffer, R. Neier and J. B. Cooper

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Mycobacterium tuberculosis thymidylate kinase: structural studies of the enzymatic reaction

E. Fioravanti, A. Haouz, T. Ursby, H. Munier-Lehmann, M. Delarue and D. Bourgeois

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Evolving an enzyme into different metabolic roles: structures of fungal and bacterial ATP sulfurylase

A. J. Fisher, I. J. MacRae, E. B. Lansdon, J. D. Beynon and I. H. Segel

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Substrate promiscuity of an aminoglycoside antibiotic resistance enzyme via target mimicry

D. H. Fong and A. M. Berghuis

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Crystal structure of plant pectin methylesterase

R. Friemann, K. Johansson, M. El-Ahmad, H. Jornvall and O. Markovic

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Crystal structure of thermostable aspartase and exploration of functional sites in aspartase family

T. Fujii, H. Sakai, Y. Kawata and Y. Hata

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Crystal structure of irpex lacteus aspartic proteinase in complex with the inhibitor pepstatin

Z. Fujimoto, Y. Fujii, S. Kaneko, H. Kobayashi and H. Mizuno

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Crystallization strategy for a sucrose transporter and structural studies of enzymes from the starch and sucrose metabolism

M. Gajhede, L. K. Skov, O. Mirza, I. Dar and D. Sprogoe

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Structural investigations towards a catalytic mechanism of E. coli aminopeptidase P

S. C. Graham, M. J. Maher, W. H. Simmons, H. C. Freeman and J. M. Guss

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Structural and functional diversity within the 4-OT family of enzymes

M. L. Hackert, J. J. Almrud, S. C. Wang, W. H. Johnson and C. P. Whitman

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Domain movements induced by substrate binding in OMP decarboxylase

P. Harris, J.-C.N. Poulsen, K. F. Jensen and S. Larsen

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The X-ray crystal structure of formaldehyde dismutase at 2.3 Å resolution

T. Hasegawa, A. Yamano, K. Miura, Y. Katsube, H. Yanase and N. Kato

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Structures of the two polymorphic forms of human histamine methyltransferase

J. R. Horton, K. Kawada and X. Cheng

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Crystal structure of the small form of glucose-inhibited division protein A from Thermus thermophilus HB8

W. Iwasaki, H. Miyatake and K. Miki

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Crystal structure of a bacterial tRNA-precursor processing enzyme: RNase PH from Bacillus subtilis

A. Kadziola, L. S. Harlow, K.-F. Jensen and S. Larsen

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Crystal structure of phosphoenolpyruvate carboxylase: the reaction mechanism and regulation

Y. Kai, H. Matsumura, S. Shirakata, T. Inoue, T. Yoshinaga, Y. Ueno and K. Izui

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Trapping reaction intermediates: a transition state on the R61 DD-peptidase catalytic pathway

J. A. Kelly, S. R. Brinsmade and N. R. Silvaggi

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Crystal structure of 4-hydroxyphenylacetate 3-monooxygenase large chain (hpaa) from Thermus thermophilus HB8

S.-H. Kim, H. Miyatake, T. Hisano and K. Miki

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Crystal structure of the complex between calyculin A and protein phosphatase 1 catalytic subunit

A. Kita, S. Matsunaga, A. Takai, H. Kataiwa, T. Wakimoto, N. Fusetani, M. Isobe and K. Miki

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Crystal structure of the NADP-dependent glyceraldehyde-3-phosphate dehydrogenase of cyanobacteria

T. Kitatani, T. Tada, Y. Nakamura, K. Wada, M. Tamoi, S. Shigeoka and K. Nishimura

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Alternate conformations observed in catalytic serine of Bacillus subtilis lipase

H. Kondo, M. Suzuki, K. Kawasaki, S. Ohgiya and S. Tsuda

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A structural clue about a stringent response related protein family

O. Kristensen and M. Gajhede

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Structure of the electron transfer complex between ferredoxin and ferredoxin-NADP⁺ redeuctase from maize

G. Kurisu, M. Kusunoki, Y. Onda, Y. Kimata-Ariga and T. Hase

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Diagnosing the structural mechanism of APS kinase

E. B. Lansdon, I. H. Segel and A. J. Fisher

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Crystal structure of rabbit phosphoglucose isomerase complexed with its substrate D-fructose 6-phosphate identifies the ring opening step in catalysis

J. H. Lee, K. Z. Chang, V. Patel and C. J. Jeffery

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The crystal structure of desulfurization enzyme DszB

W. C. Lee, M. Toshiyuki, T. Ohshiro, Y. Izumi and M. Tanokura

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Structure of pyruvate formate-lyase in complex with a natural substrate, pyruvate

L. Lehtio, V-M. Leppanen, J. Kozarich and A. Goldman

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Structural basis for the transglycosylation activity of endo-β-N-acetylglucosaminidase A

H. Li, Z. Li, K. Takegawa and P. Van Roey

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Insights into the functional architecture of the catalytic center of a maize β-glucosidase Zm-p60.1

J. Marek, J. Zouhar, J. Vevodova, J. Damborsky, X.-D. Su and B. Brzobohaty

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Biochemical and structural assessment of the 1-N-azasugar GalNAc-isofagomine as a potent family 20 β-hexosaminidase inhibitor

B. L. Mark, D. J. Vocadlo, D. Zhao, S. Knapp, S. G. Withers and M. N. G. James

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Structural insights into the mechanism of thymidylate synthase complementing proteins

I. I. Mathews, A. M. Deacon, D. McMullan, J. M. Canaves, P. Kuhn and S. Lesley

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Rationalization of inhibitor binding in serine/threonine phosphatases

J. T. Maynes, K. S. Bateman, M. M. Cherney, A. K. Das, H. A. Luu, C. F. B. Holmes and M. N. G. James

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Crystal structure of yeast phosphofructokinase

I. Mechin, G. Kopperschlager and W. Rypniewski

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On the enzymatic mechanism of lumazine synthase

W. Meining, X. Zhang, M. Fischer, A. Bacher and R. Ladenstein

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The structure of amylosucrase in complex with fructose

O. Mirza, L. Skov and M. Gajhede

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Crystal structure of Galdieria Rubisco reveals a novel closure mechanism of the active site

E. Mizohata, Y. Okano, Y. Xie, H. Matsumura, H. Sugawara, T. Inoue, A. Yokota and Y. Kai

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Crystal structure of spliceable precursors of yeast VMA1-derived homing endonuclease

R. Mizutani, S. Nogami, M. Kawasaki, Y. Ohya, Y. Anraku and Y. Satow

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Crystallisation and preliminary X-ray analysis of the recombinant Arthrobacter grobiformis inulin fructotransferase

M. Momma, Z. Fujimoto, K. Haraguchi and H. Mizuno

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The structure of C–C bond hydrolase MhpC reveals an unusual catalytic mechanism

M. G. Montgomery, G. Dunn, F. Mohammed, T. D. H. Bugg and S. P. Wood

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Plasmodium falciparum triosephosphate isomerase complexes: catalytic loop in the open and closed conformations

M. R. N. Murthy, S. Parthasarathy, H. Balaram and P. Balaram

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Crystal structure of the thermostable pectate lyase from Bacillus sp. TS 47

T. Nakaniwa, K. Ishii, T. Tada, M. Takao, T. Sakai and K. Nishimura

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Crystallographic studies of the large sialidase, nanH, from Clostridium perfringens

S. Newstead, C. Chien, M. Taylor and G. Taylor

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Crystal structure of a calcium-free α-amylase AmyK38

T. Nonaka, M. Fujihashi, A. Kita, H. Hagihara, K. Ozaki, S. Ito and K. Miki

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Structure of a novel pectate lyase from Azospirillum irakense

H. Novoa de Armas, A. Rabijns, C. Verboven, J. Desair, A. Vande Broeck, J. Vanderleyden and C. De Ranter

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Reaction intermediates analysis of ACCD and its homologue

T. Ose, A. Fujino, M. Yao, M. Honma and I. Tanaka

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Structural studies of enzymes involved in peroxisomal β-oxidation

L. Pedersen, J. G. Olsen, J. T. Bukrinsky and A. Henriksen

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Structure of human phosphoserine phosphatase

Y. Peeraer, A. Rabijns, C. Verboven, J.-F. Collet, E. Van Schaftingen and C. De Ranter

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The structure of X-PDAP from Lact. lactis gives new perspectives for struggle against pathogens

P. Rigolet, I. Mechin, M. M. Delage and J. F. Chich

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Structure and inactivation of triosephosphate isomerase from Entamoeba histolytica

A. Rodriguez-Romero, A. Hernandez-Santoyo, A. Kornhauser, L. Del Pozo and A. Fernandez-Velasco

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Crystallization and structural studies of type I chloramphenicol acetyltransferase

A. Roidis, M. Kokkinidis and D. Kotsifaki

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Structural flexibility and allosteric transition: the case of glucosamine-6-phosphate deaminase

E. Rudino-Pinera, P. Gonzalezrubio-Garrido, S. P. Rojas-Trejo and E. Horjales

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Crystal structure analysis of septum site-determining protein MinD from Pyrococcus horikoshii

N. Sakai, M. Yao, N. Watanabe and I. Tanaka

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Insight into the enzymatic mechanism of argininosuccinate lyase

L. M. Sampaleanu and P. L. Howell

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Structure-function studies of EPSP synthase from Pseudomonas aeruginosa

J. E. Saunders, E. P. Carpenter, P. Vaithanomsat, J. R. Coggins and K. A. Brown

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Crystallization and preliminary crystallographic characterization of recombinant sucrose phosphorylase from Streptococcus mutans

D. Sprogoe, M. Gajhede, L. Skov, O. Mirza, O. Kristensen, R. R. Russel and D. S. Shah

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How myo-inositol is made in every living cell. The structures and insights into catalysis of inositol-1-phosphate synthase (IPS) and inositol-1-phosphate phosphatase (IMPase/FBPase) from Archaeoglobus fulgidus

B. Stec, K. A. Stieglitz, K. A. Johnson, H. Yang and M. F. Roberts

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Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A

F. Sun, H. He, Y. Ding, M. Bartlam, Y. Le, X. Qin, R. Zhang, A. Joachimiak, J. Liu, N. Zhao and Z. Rao

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The crystal structure of a novel mammalian lectin Ym1 suggests a saccharide binding site

Y. Sun, C. Hsiao, N. Chang, A. Chang and S. Hung

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Crystal structure of coagulation factor IX-binding protein at pH = 6.5

N. Suzuki, Y. Shikamoto, Z. Fujimoto, H. Kaneko, T. Morita and H. Mizuno

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Crystallographic studies of the lipoprotein localization factors LoLA and LoLB from E. coli

K. Takeda, H. Miyatake, N. Yokota, S. Matsuyama, H. Tokuda and K. Miki

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Crystal structure of (R)-hydratase and its mutant complexed with crotonyl-CoA

H. Tamao, T. Tsuge, Y. Doi and K. Miki

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The crystal structures of semi-synthetic aequorins

S. Toma, A. Nakagawa, T. Tukihara, S. Inouye and O. Shimomura

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Crystal structure of the ADP-dependent glucokinase from Pyrococcus horikoshii

H. Tsuge, H. Sakuraba, T. Koube, A. Kujime, N. Katunuma and T. Ohshima

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Crystallographic studies of ribonucleotide reductase from Salmonella typhimurium. Clues about the allosteric regulation

M. Uppsten, M. Farnegard, H. Eklund and U. Uhlin

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Determination of the structure of KDO8P synthase with the natural substrate A5P, Z-FPEP and E-FPEP

R. Vainer, N. Adir, E. Rabkin, V. Belakhov and T. Baasov

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Orotidine 5′-monophosphate decarboxylase: reaction mechanism elucidated by mutation studies

N. Wu and E. F. Pai

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Crystal structure of ClpA, an hsp100 chaperone and regulator of ClpAP protease: structural basis of differences in function of the two AAA+ ATPase domains

D. Xia, F. Guo, M. Maurizi and L. Esser

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The crystal structures of Escherichia coli MutT proteins with and without manganese ions

Y. Yamagata, T. Nakamura, S. Meshitsuka, N. Abe, H. Nakano, T. Doi, Y. Kobayashi, S. Fujii and M. Sekiguchi

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Structure analysis of IPMI small subunit - effect of intermolecular disulfide bond on crystal quality

M. Yao, N. Sakai, T. Kirita and I. Tanaka

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Human mitochondrial branched chain aminotransferase: an X-ray crystallographic study

N. H. Yennawar, H. P. Yennawar, M. E. Conway and S. M. Hutson

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High resolution structures of wild type and apo human CuZn superoxide dismutase and its fals-related mutants

S. V. Antonyuk, M. A. Hough, R. W. Strange, P. Doucette, P. J. Hart, J. S. Valentine and S. S. Hasnain

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Hybrid cluster protein (HCP) from Desulfovibrio vulgaris and Desulfovibrio desulfuricans: aerobic, anaerobic and reduced structural studies

D. G. Aragao, S. Macedo, C. Frazao, E. Mitchell, C. Romao, M. Teixeira, W. R. Hagen, M. A. Carrondo and P. Lindley

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Atomic resolution structure of a rusticyanin mutant from Thiobacillus ferroxidans

M. L. Barrett, J. F. Hall and S. S. Hasnain

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Crystal structure from the molybdenum-copper cofactor of the orange protein

D. R. Boer, H. C. A. Raaijmakers, J. M. Dias, S. A. Bursakov, I. Moura, J. J. G. Moura and M. J. Romao

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pH dependence of peroxide derived high valent haem in myoglobin studied by X-ray crystallography

H.-P. Hersleth, B. Dalhus, C. H. Gorbitz and K. K. Andersson

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A possible model for filament extension of the E. coli reca protein in homologous recombination

T. Hikima, T. Hiraki, S. Ikawa, T. Shibata and N. Kamiya

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Photoactivation process observed around the reaction center of photoreactive nitrile hydratase

Y. Kawano, M. Nojiri, M. Odaka, H. Nakayama, M. Tsujimura, K. Takio, I. Endo and N. Kamiya

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Crystal structure of rat biliverdin-IXα reductase

A. Kikuchi, S.-Y. Park, D. Sun, M. Sato, T. Yoshida and Y. Shiro

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Bacterioferritin from Desulfovibrio desulfuricans: the identification of the ferroxidase centre

S. Macedo, E. P. Mitchell, P. M. Matias, C. V. Romao, M. Y. Liu, A. V. Xavier, P. F. Lindley, J. Le Gall, M. Teixeira and M. A. Carrondo

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Inhibitor binding of nitrile hydratase from Rhodococcus sp. N771 in the photoactivation process

M. Nojiri, Y. Kawano, M. Odaka, H. Nakajima, I. Endo and N. Kamiya

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X-ray analysis of MntC, a Mn-transporter periplasmic protein in the Synechocystis sp. Pcc 6803

V. Rukhman, R. Anati, B. Brumshtein, M. Bhattacharyya-Pakrasi, H. B. Pakrasi and N. Adir

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Crystal structures of reaction intermediates of an extradiol-cleaving catecholic dioxygenase

T. Senda, Y. Takahashi, N. Sato, Y. Uragami, E. Masai and M. Fukuda

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Crystal structure of water-soluble chlorophyll protein from Raphanus sativus

K. Shinashi, S. Kiyono, O. Ito, D. Uchida, R. Igari, J. Kuroki, H. Satoh, I. Oonishi and A. Uchida

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The structural change of heme oxygenase upon heme binding

M. Sugishima, H. Sakamoto, Y. Kakuta, Y. Omata, S. Hayashi, M. Noguchi and K. Fukuyama

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Crystal structure of water-soluble chlorophyll protein from Lepidium virginicum

A. Uchida, D. Horigome, T. Sasaki, E. Meguro, S. Kaneko, N. Ito, H. Satoh and I. Oonishi

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Crystal structure of chloroplastic ascorbate peroxidase from tobacco plants

K. Wada, T. Tada, Y. Nakamura, T. Ishikawa, Y. Yabuta, K. Yoshimura, T. Takeda, S. Shigeoka and K. Nishimura

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Crystal structures of N-carbamoyl-D-amino-acid amidohydrolase-substrate complexes: structural insights into the binding pocket

W. Wang, C. Chen and J. Liu

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Crystallographic analysis of the Holliday junction-cutting enzyme (Hjc) from Archaeoglobus fulgidus

C. Biertuempfel, C. Sauter, J. Basquin, R. Birkenbihl, B. Kemper and D. Suck

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Structural impact of 8-oxoguanine on human topoisomerase I

D. Lesher, Y. Pommier, L. Stewart and M. R. Redinbo

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Crystal structure analysis of human CCG1/TAFII250-interacting factor B (CIB)

P. Balasundaram, T. Kuzuhara and M. Horikoshi

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The molecular basis of the coloration mechanism in lobster shell: β-crustacyanin at 3.2 Å resolution

J. R. Helliwell, P. J. Rizkallah, A. Olczak, J. Raftery, N. E. Chayen, P. F. Zagalsky and M. Cianci

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Role of weak interactions and flexible tetra-glycine linker in a de novo designed helical hairpin eicosapeptide

R. Acharya, U. A. Ramagopal, S. Ramakumar, D. Sahal and V. S. Chauhan

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Crystal structures of O-phosphoserine in different chemical environments

I. Bryndal, B. Picur and T. Lis

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Design of a β-turn-II conformation with α,β dehydro residues at (i+1) position

S. Dey, V. K. Goel, J. Makker, A. P. Baxla, M. Guha, P. Kumar, R. Vijayaraghavan and T. P. Singh

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Towards the structural determination of the short chain α-neurotoxins from the elapid snakes P. affinis and P. nuchalis

R. K. Judge, G. A. Jelinek, M. C. J. Wilce and J. A. Wilce

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Hairpin turns and polar β-sheet assembly by peptides containing β-amino acid residues

I. Karle and P. Balaram

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Crystal and molecular structure of the antibiotic/antitumor compound taurolidine

M. Rossi, E. Simms and F. Caruso

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Conformational characteristics of 40 steroid compounds before and after molecular mechanics calculations

S. Stankovic, D. Lazar, O. Markovic, K. Penov Gasi, J. Petrovic, R. Kovacevic, T. Pilati and Ch. Courseille

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X-ray crystal and molecular structure of 16-(4-cynobenzylidene)-3-pyrrolidino-5-androsten-17-ol monohydrate

S. Thamotharan, R. Hema, V. Parthasarathi, S. Dubey and D. P. Jindal

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Structural models of marmesinine refined against single-crystal and HRPD data

J. Grochowski and P. Serda

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43 years of Cinchona alkaloid X-ray crystallography: are there any secrets left?

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Crystallographic insight into mechanisms of quinolones actions

M. L. Glowka and D. Martynowski

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HIV-1 non-nucleoside reverse transcriptase inhibitors - structural based drug design

N. E. Ziolkowska, G. D. Bujacz and C. J. Michejda

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Artelinic acid for treatment of severe malaria forms water-linked dimers

J. M. Karle and A. J. Lin

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Systematic neutron diffraction study on variable strength OHN hydrogen bonds in phenol – pyridine adducts

I. Majerz, T. Steiner, C. C. Wilson, S. A. Mason and A. Ostermann

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The structure of water nanowire

A. Wakahara and T. Ishida

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2,5-anhydro-D-glucitol and 2,5-anhydro-L-thio-iditol derivatives: conformation and polymorphism

F. Fronczek, Y. Xiao, R. J. Voll and E. S. Younathan

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Use of brucine to crystallise a disaccharide from a bacterial source

R. O. Gould, M. D. Walkinshaw, N. Wimmer and P. Kosma

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X-ray study on polymorphism of some ergopeptine drugs

J. Cejka, B. Klepetarova, I. Cisarova, B. Kratochvil and A. Jegorov

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Conformation analysis of morphine alkaloids

H. Petrickova, A. Jegorov, M. Husak and I. Cisarova

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Polymorphism in tri-p-tolyl-1,3,5-triazine

M. Botoshansky, A. Lisovskii, V. Volkis and M. S. Eisen

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Structure and conformation of substituted dibenzo[d,g][1,3,2] and [1,3,6,2]dioxa and dioxathiaphosphocin 6-oxides

M. Krishnaiah and N. J. Kumar

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3-[(4-Hydroxy-5,8-dimethyl-2-oxo-2H-chromen-3-yl)-4-methoxyphenylmethyl]-5,8-dimethyl-2-oxo-2H-chromen-4-olate

L. Vijayalakshmi, V. Parthasarathi, A. Shah, V. Vora and B. Desai

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Intramolecular resonance assisted hydrogen bond and aggregation of 2-quinolones: a neutron diffraction study

G. Punte, G. Pozzi, A. E. Goeta, C. Wilson, G. Romanelli and J. C. Autino

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Organic electronic materials

T. Siegrist, C. Kloc and J. H. Schoen

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Quantifying distortion in substituted tetrahydropyrans

I. Svoboda, H. Fuess, J. Hartung and M. Greb

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Structure conformation of 4-(4-methoxyphenyl)-5-phenyl isoxazole

K. V. N. Raju, M. Krishnaiah, N. J. Kumar and S. N. Rao

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A new mechanism of fullerene formation

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Inclusion of C₆₀ and C₇₀ in channels of 2,4,6-tris(4-bromophenoxy)-1,3,5-triazine (TBPT)

H. Suess, J. Hulliger and M. Lutz

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New intercalation compounds of C₆₀ with ethene and ethane

C. Wilson, A. S. O'Neil, A. J. Blake, M. Poliakoff, A. E. Goeta and J. A. K. Howard

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An iron(II) spin-crossover complex: a variable temperature crystallographic study

V. A. Money, I. R. Evans, J. A. K. Howard, A. E. Goeta and M. A. Halcrow

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Abiogenetic structures of solid bitumen as biological systems predecessors and hydrocarbon crystallization of life

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Study of new complexes of lanthanide nitrates with hexamethylenetetramine

T. Bartczak, R. Kruszynski and M. Zalewicz

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A new set of molecular descriptors

O. A. Blatova, V. A. Blatov and V. N. Serezhkin

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Complex coinage metal(I) thiosulfates

E. J. Chan, B. W. Skelton and A. H. White

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The crystal and molecular structure of bis-N-octyl-hydroxynaphthaldiminatocopper(II)

J. Costamagna, A. Rios-Escudero, M. Villagran, F. Caruso and J. Vargas

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EPR evidence for an intramolecular C-F...V interaction in vanada(IV)azirine complexes based from X-ray structure determinations

B. Donnadieu, R. Choukroun and Ch. Lorber

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Crystallographic studies of 3D-complexes with cyanamidonitrate

J. Garcia Diaz, J. Kozisek and V. Langer

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Crystal structure of Na₂[{Cu₂(O₂CH)₄}{Cu(O₂CH)₄}]

A. Golobic, M. Malekovic and P. Segedin

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Bis(2-methylquinoline N-oxide)zinc chloride(II) and bis(quinoline N-oxide)copper(II) chloride

S. N. Ivashevskaja, L. A. Aleshina and V. V. Chernyshev

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Crystal and molecular structure of tris(3,5-dimethyl-1-thiocarboxamidepyrazolato)Co(III), Co(L-H)₃

Z. K. Jacimovic, G. Giester, Z. D. Tomic and V. M. Leovac

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Two dinuclear nickel complexes with different N₃ ligand binding type

N. Kanehisa, Y. Xie, E. Nagai, M. Fujii, Y. Nakao and Y. Kai

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Geometrical principles in the construction of molecular structures of heterometallic alkoxide complexes

V. G. Kessler, G. A. Seisenbaeva and P. Werndrup

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Single-crystal neutron diffraction study of bis{zinc(II) bis(N,N′-diethyldithiocarbamate)}

W. T. Klooster, R. Piltz and E. R. T. Tiekink

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Solid polymorphs of hexa-aqua Mg(II), Co(II), and Ni(II) hypophosphite

N. V. Kuratieva, D. Yu. Naumov and N. V. Podberezskaya

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Crystal and electronic structure of aqua(N-salicylidene-methylester-L-glutamato)Cu(II) monohydrate

V. Langer, D. Gyepesova, E. Scholtzova, M. Kohutova and A. Valent

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Structural diversity of copper(II) carboxylates with 4-aminopyridine

I. Leban, N. Lah and P. Segedin

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Structure and biological activity of Zn(II) complex with tris(benzimidazol-2-ylmethyl)amine(NTB) ligand

X. L. Liu, R. Zhao, X. Wen and F. M. Miao

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The X-ray investigation of Co(III) dioximate complexes with BF₄⁻ or CF₃SO₃⁻ anions

St. Malinovski, E. Coropceanu, M. Gdanec, K. Suwinska, R. Luboradzki, O. Bologa and H. Stoeckli-Evans

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Temperature dependent bond distance variation in Ni complexes with some polyamine ligands

H. Miyamae, K. Aoki and G. Hihara

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Crystallographic study of anhydrous hypophosphorous acid salts M(H₂PO₂)₂

M. I. Naumova, D. Yu. Naumov and N. V. Podberezskaya

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Structure determinations of polyoxotungstates using high-energy synchrotron X-ray diffraction

T. Ozeki, S. Oike and K. Kusaka

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Linear pentanuclear metal string complexes: synthesis, structures, and redox properties

S. M. Peng, C. Y. Yeh and G. H. Lee

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Pseudo Vaska-type complexes: solid state and solution behaviour as model homogeneous catalysts

A. Roodt, S. Otto, G. Steyl, A. Meij, A. J. Muller and A. Oskarsson

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Bridging the 16-membered Z-macrocycle: consequences for conformation and reactivity

G. Rosair, R. Anderson and J. H. Cameron

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Structure of platinum, zinc and cadmium 8-hydroseleno-L-quinolinates

E. Silina, J. Ashaks, V. Belsky, A. Stash, L. Pech and Yu. Bankovsky

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Synthesis, properties and structure of some bithiophene complexes of chromium, tungsten, manganese and iron

P. van Rooyen, S. Lotz and M. van Staden

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Crystal structure of the PMBP-m-Cl-aniline with its Co(II) complex

J. L. Wang, Y. Yang, M. Yu and F. M. Miao

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Synthesis and structural properties of triosmium carbonyl clusters containing oxime ligands

J. S. -Y Wong and W.-T. Wong

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Synthesis and structure of the dinuclear rhodium-BINAP complex

T. Yamagata, K. Hoshida and K. Tani

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Change of the coordination mode in quinazoline-bridged copper complex

M. Yasui, M. Iegaki, D. Hashizume and F. Iwasaki

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Combined synchrotron X-ray and neutron diffraction study of Ba₄C₆₀ superconductor

I. Margiolaki, E. Aslanis, S. Margadonna and K. Prassides

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Structure of isomer II of the endohedral fullerene ER₂@C₈₂

M. M. Olmstead, A. L. Balch, H. M. Lee, H. C. Dorn and S. Stevenson

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A student investigation of sulfa drug/carboxylic acid molecular recognition by cocrystallization

D. A. Adsmond, M. A. Whitener and P. J. Squattrito

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On polymorphism of some hydrated cerium sulfates

B. M. Casari and V. Langer

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Effect of cooling-agitation on polymorphic transformation of L-glutamic acid

C. Cashell, B. K. Hodnett and D. Corcoran

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3D structures of Acetylcholinesterase complexes with potential drugs for the treatment of Alzheimer's disease

H. Dvir, D. M. Wong, M. Harel, H. L. Jiang, T. L. Rosenberry, F. J. Luque, P. Camps, I. Silman and J. L. Sussman

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Polymorphism and a phase transition in K₃Yb(PO₄)₂

J. Farmer, L. A. Boatner, B. C. Chakoumakos, C. J. Rawn, J. W. Richardson and S. Khalid

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Polarity formation by in-diffusion of dye molecules into channels of an organic zeolite

T. Hertzsch, S. Kluge, E. Weber, F. Budde and J. Hulliger

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Indirect readout of the PurF operator by the purine repressor (PurR)

K. M. Hoffmann, M. A. Schumacher and R. G. Brennan

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Molecular recognition of the plant hormone auxin is still a puzzle

B. Kojic-Prodic, V. Magnus, S. Tomic, S. Antolic, B. Salopek-Sondi, E. Dolusic and B. Bertosa

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Polymorphism in long-chain N-alkylammonium chlorides

G. J. Kruger, M. Rademeyer, E. C. Reynhardt and R. Scholtz

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Structures, lattice energies and fluorescence of diphenyl maleic acid anhydride (IMIDE) polymorphs

A. Meents, H. Kutzke, M. Jones, H. Klapper, C. Wickleder and H. Wamhoff

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The characterisation of paracetamol solvates

I. D. H. Oswald, S. Parsons, C. R. P. Pulham, P. A. McGregor and R. A. Coxall

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Groth's original concomitant polymorphs revisited

M. Rafilovich and J. Bernstein

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Concomitant crystallization: diaminobenzenesulfonic acids

J. M. Rubin and J. Bernstein

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Conformational polymorphism of the local anaesthetic drug oxybuprocaine hydrochloride

A. Schmidt, U. J. Griesser, T. Brehmer, R. K. Harris and A. King

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Effect of side chain functional groups on inclusion abilities of cholic acid

N. Yoswathananont, K. Nakano, K. Sada and M. Miyata

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Interpreting structural motifs of molecular materials by way of crystal structure determination directly from powder diffraction data

E. Y. Cheung, K. D. M. Harris, R. L. Johnston, G. W. Turner, S. Habershon and A. Jove

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Fast-ion conduction in an unusual three-dimensional coordination polymer containing nano-sized channels

X. Solans, M. C. Munoz, A. B. Gaspar, P. Demont, A. Bousseksou and J. A. Real

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Atomic displacement parameters, normal mode analysis and bond length correction

T. Luethi Nyffeler, C. Jelsch, K. Ogawa and H.-B. Buergi

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A theoretical study of diffuse scattering from librating and vibrating globular molecules in solids

J. S. Reid, L. McNay and A. M. Moore

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Atomic thermal motions in crystalline m-dinitrobenzene in relation to its second order non-linear response

G. Wojcik, I. Mossakowska, J. Holband and W. Bartkowiak

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New insights into the [2+2] photodimerization of o-ethoxy-trans-cinnamic acid

M. A. Fernandes and D. C. Levendis

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Intermolecular methyl migration

N. Fridman, Y. Sheynin, M. Kapon and M. Kaftory

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Homogeneous photochemical reactions in solid inclusion compounds

T. Lavy, M. Botoshansky, N. Shakkour, S. Speiser and M. Kaftory

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Thermal solid-state isomerization reactions in Re and Mo 'piano stool' organometallic complexes

D. C. Levendis, N. J. Coville, O. G. Adeyemi and M. A. Fernandes

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Reactivity differences of indomethacin solid forms with ammonia gas

J. G. Stowell, X. Chen, K. R. Morris, U. J. Griesser and S. R. Byrn

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Non-monotonous relaxation processes in hydrogenated Pd-Mo alloys

A. A. Anischenko, A. A. Katsnelson, V. M. Avdyukhina and G. P. Revkevich

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In-situ determination of polymorphic phase diagrams

E. Aret, H. Meekes, E. Vlieg and G. Deroover

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Kinetics of exsolution in the pentlandite-pyrrhotite ((Fe,Ni)₉S₈-Fe_(1−x)S) system

B. E. Etschmann, A. Pring, A. Putnis, C. McCammon, B. GrGuric and A. J. Studer

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Electrostatic effects in protein-unfolding kinetics: experiment and energy calculations

A. Hernandez-Arana and A. Rojo-Dominguez

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Imaging the competition between charge-ordered and charge-delocalised states in Pr_0.65(Ca_ySr_1−y)_0.35MnO₃

G. R. Blake, P. G. Radaelli, M. Gutmann, D. N. Argyriou and J. F. Mitchell

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Crystalline phase transitions of K₃Lu(PO₄)₂. An electron paramagnetic resonance peculiar view

J. L. Boldu, L. A. Boatner, E. Munoz, J. Barreto and J. M. Farmer

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Diffuse phenomena in co-crystals displaying morphodichotomy and segregability

M. Bonin, M. Hostettler, G. Chapuis and K. Schenk

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Prediction of new ferroelectrics with symmetry Pna2₁

C. Capillas, E. Kroumova, M. I. Aroyo and J. M. Perez-Mato

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Crystal structures of cyano-elpasolites: chemical pressure versus temperature

D. Chernyshov and H.-B. Buergi

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Deformation effect on structure and properties of surface layers in iron alloys under nitrogen and carbon alloying

Lesya D. Demchenko

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Structural investigations along the join CaTiOGeO₄-SrTiOGeO₄

R. Ellemann-Olesen and T. Malcherek

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Polytypes and structural transition in calcic aluminates hydrated [Ca₂Al(OH)₆]⁺[X,2H₂O]⁻ with X = Cl, Br and I

M. Francois, J. P. Rapin, G. Renaudin and J. P. Rivera

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Atomic and magnetic structure of MnF₃

B. A. Hunter, T. Vogt and B. J. Kennedy

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Phase transition and structure of K₂Fe(SO₄)2.4H₂O

H. Ishigami, M. Sumita, Y. Tsunashima, S. Sato and M. Shiro

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The metal-insulator transition in Y_1−xCa_xTiO₃ caused by structural phase separation

K. Kato, E. Nishibori, M. Takata, M. Sakata, T. Nakano, K. Uchihira, M. Tsubota, F. Iga and T. Takabatake

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Polymorphism and properties of the doped K₃Nb₃B₂O₁₂ crystals

E. P. Kharitonova, V. I. Voronkova, V. K. Yanovskii and S. Yu. Stefanovich

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Growth and properties of KTiOPO₄ crystals doped by antimony

T. Losevskaya, V. I. Voronkova, V. K. Yanovskii and S. Yu. Stefanovich

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Structural phase transitions in two lithium tantanyl compounds

T. Malcherek, H. Trill, L. Cemic and A. Bosenick

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X-ray structural investigations of phase transitions in spinels in the Fe-Mn-O system in air

S. A. Petrova and R. G. Zakharov

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Variable temperature studies of compounds with novel temperature-resistivity characteristics, study of [(ET)₄[(H₃O)GA(C₂O₄)₃]PHNO₂]

M. R. Probert, H. Akutsu, S. S. Turner, P. Day and J. A. K. Howard

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Phase transition data base ten years after

P. E. Tomaszewski

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Crystal lattice dilatation in Cd-Cr-Se spinels with gallium admixtures

A. Waskowska, L. Gerward, J. Staun Olsen and E. Malicka

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Structural phase transition and dielectric behavior of o-phenylenebis(squaric acid) salt

S. Yamamura, Y. Sugawara, H. Terao and T. Sugawara

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Synchrotron X-ray powder diffraction study on successive phase transitions in AZnPO₄(A:Rb, Cs)

I. Yamashita, H. Kawaji, T. Atake, Y. Kuroiwa and A. Sawada

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Structural phase transitions in tetramethylammonium hydrogen chalcogenates: [N(CH₃)₄]HXO₄ - compounds with high protonic conductivity

M. A. Zakharov, E. V. Kosterina, L. A. Aslanov, E. Kemnitz and S. I. Troyanov

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Self-assembled coordination complexes by solid-state reactions

S. A. Bourne, O. Hallale, M. Kilkenny and K. R. Koch

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Structural diversity in co-ordination polymers with an angular dipyridyl ligand

A. J. Blake, S. A. Barnett, N. R. Champness and C. Wilson

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A novel free-mounting system for protein crystals: improvement of diffraction power by accurately controlled humidity changes

R. Kiefersauer, H. Dobbek, M. E. Than and R. Huber

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Tuning polarity by solid solutions of molecular crystals

S. Kluge, F. Budde and J. Hulliger

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Crystal engineering of the growth interface

N. Blagden, R. J. Davey and M. Song

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Interaction between S in S=C double bonds and iodine using the CSD

M. Bolte and C. Naether

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Crystal engineering using the analogy of X=OH and NH₂ groups in 2-X-cycloalkane-1-carboxylic acids

L. Fabian, A. Kalman, Gy. Argay, G. Bernath and Zs. Gyarmati

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Crystal and molecular structure of diethyl tetrahydro-1,1-dioxo-3,5-diphenyl-1,4-thiazine-2,6-dicarboxylate

K. A. N. Kusuma, Vasu, C. Choodamani, R. Banurekha and Bhavani

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3,5-dinitrobenzamide: a new ligand for the creation of novel supramolecular assemblies

V. R. Pedireddi, J. PrakashaReddy and K. Arora

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Two pairs of 4-aminoazoxybenzene polymorphs

J. Zaleski, K. Ejsmont, A. Domanski and J. B. Kyzio

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Synthesis and structures of complexes of benzenepolycarboxylic acids with first row transition metals

N. C. Martin and W. Clegg

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Precursors for preparation of Nobel metal phases with a 2:1 ratio

K. V. Yusenko, S. A. Gromilov, I. A. Baidina and S. V. Korenev

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A new family of indium rare earth compounds having the thortveitite structure

E. Juarez-Arellano, L. Bucio, R. Carbonio and E. Orozco

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Synthesis and characterization of an open-framework ammonium-iron-gallophosphate

A. Bieniok, J. W. Bats, M. Bernroider and G. Amthauer

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Graphite single crystal inclusions in diamond

J. Glinnemann, K. Kusaka, J. W. Harris and H. Klapper

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Some α′-low temp. structures in Ca2SiO₄⁻Sr₂SiO₄ solid solutions

F. Nishi and Y. Matsumoto

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The influence of the lattice on cation distortion

I. D. Brown and V. S. Urusov

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Novel layered bismuth oxyhalides: a geometrical approach to prediction and synthesis

D. O. Charkin, O. A. Dytyatiev, V. A. Dolgikh and P. Lightfoot

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Preparation and characterization of barium-lead fluoroapatites Ba_(10−x)Pb_x(PO₄)₆F₂

M. Debbabi, A. Hamed and B. Badraoui

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The cubic fluorite-type superstructure of Y₇ReO₁₃

H. Ehrenberg, T. Hartmann and H. Fuess

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Crystal-chemical peculiarities of rare-earth alumosilicides and alumogermanides

R. Gladyshevskii, N. Nakonechna and E. Gladyshevskii

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New oxide materials based on strontium lithium titanium oxide phase SrLi₂Ti₆O₁₄

P. Gravereau, I. Koseva, P. Peshev, S. Pechev and J. P. Chaminade

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Rare earth (R) transition metal (T) aluminides R₃T₄Al₁₂ and structural systematics of related intermetallics

J. Niermann and W. Jeitschko

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Metal-rich rare earth compounds - disorder and diffuse scattering

O. Oeckler, Hj. Mattausch, J. Bauer and A. Simon

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Calculation of the B-O triangle to B-O tetrahedron ratio in borates

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Crystal structure of phases in the system CaO-K₂O-P₂O₅

M. H. S. Sandstrom and D. Bostrom

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Monoclinic superstructure of SrMgF₄ with perovskite-type slabs

K. Suda, N. Ishizawa, B. E. Etschmann, D. J. du Boulay and N. Kodama

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A comparative topological analysis of crystal structures of anhydrous simple borates, carbonates and nitrates

Yu. A. Zakutkin

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Crystal structure and magnetic properties of Pr_1−xTb_xMn₂Ge₂

A. Elmali, Y. Elerman, E. Duman and M. Acet

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X-ray powder diffraction study and optical characterization of the Cu(In_1−xGa_x)₃Te₅ semiconducting system

J. M. Delgado, G. Marin, R. Guevara, S. M. Wasim, C. Rincon and G. Sanchez

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Crystal structure and superconducting properties of Sr₂YCu₂(Fe,Co)O_6+δ

T. Mochiku, Y. Hata, Y. Mihara, Y. Nakano, H. Fujii, J. Suzuki, I. Kakeya, K. Kadowaki, K. Hirata, H. Kito and H. Ihara

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Rapid HTXRD analysis of phase evolution in ceramic materials

R. L. Snyder, M. B. Dickerson, K. Pathak, J. Nash, K. H. Sandhage, U. Balachandran, B. Ma, R. Blaugher and R. Bhattacharya

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Crystal structures of Y₅Ni₆B₆C₅, Y₅Ni₈B₈C₅, and Y₅Ni₉B₉C₅

G. Zahn, W. Yang-Bitterlich, H. Bitterlich and U. Kraemer

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Graphite formation on steam-reforming catalysts

A. M. Molenbroek, B. S. Clausen and J. K. Norskov

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Combined X-ray and neutron powder refinement of the magnetite (Fe₃O₄) structure below the Verwey transition

J. P. Attfield, J. P. Wright and P. G. Radaelli

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Charge ordering in manganites: mechanisms for an electronic localization beyond the atomic level

M. Daoud-Aladine, J. Rodriguez-Carvajal, L. Pinsard-Gaudart, M. T. Fernandez-Diaz and A. Revcolevschi

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Magnetic phase transition in PrMn_2−xT_xGe₂ (T=Co and Cr)

Y. Elerman, I. Dincer, H. Ehrenberg and A. Elmali

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Effects of structural ordering in La_1−xCa_xMnO_3−y thin films

D. S. Korolkov, A. G. Rudskaya, L. E. Pustovaya and M. F. Kupriyanov

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Field and pressure effects on correlations associated with charge-orbital ordering in manganites

S. Shimomura, K. Nishimoto, K. Torashima, K. Tajima, N. Wakabayashi, Y. Tomioka, T. Kimura and Y. Tokura

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Characteristic of superstructural ordering in natural noncrystalline substances

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Formation mechanism of supermolecular structures SiO₂

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The structure of vanadium oxide nanotubes

F. Krumeich, M. Woerle, F. Bieri, H.-J. Muhr and R. Nesper

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In-situ studies on the kinetics and mechanisms of phase transitions in ZrM₂O₈ negative thermal expansion materials

J. S. O. Evans, S. Allen and N. Warmingham

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X-ray and neutron scattering investigations on amorphous precursor derived Si-C-N and Si-B-C-N ceramics

J. Haug, P. Lamparter, M. Weinmann and F. Aldinger

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Features of structure and composition of the glasses of Kara depression

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A clever method of quantitative analysis of aluminum-rich mullite

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Asymmetry effects in diffraction by disordered charge-density wave systems

S. Ravy, J.-P. Pouget, S. Rouziere and S. Brazovskii

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The liquid-solid transition in a micellar solution of a diblock copolymer in water

V. Castelletto, C. Caillet, I. W. Hamley, Z. Yang and A. Kelarakis

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Effect of the chemical state of the surface on the relaxation of the surface shell atoms in SiC and GaN nanocrystals

B. F. Palosz, E. Grzanka, S. Gierlotka, S. Stelmakh, R. Pielaszek, U. Bismayer, H.-P. Weber, W. Palosz and J. F. Janik

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Surface and interface structure beamline (BL13XU) at SPring-8

O. Sakata, Y. Furukawa, S. Goto, T. Mochizuki, T. Uruga, K. Takeshita, H. Ohashi, T. Ohata, T. Matsushita, S. Takahashi, T. Ishikawa, K. Sumitani, T. Takahashi, M. Nakamura, M. Ito, A. Saito, T. Shimura and M. Takahashi

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GaSb and GaAs chemical polishing by HF:H₂O₂:citric acid: H₂O

E. R. Rosendo, J. O. Olvera, T. D. Díaz, M. R. Rojas and F. de Anda

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Structure of liquid III-V compounds under pressure

T. Hattori, K. Tsuji and Y. Katayama

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Self organisation of gold particles in Langmuir layers

M. J. Everard, C. L. Nicklin, M. Brust, S. Brown and S. Baker

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Optical scheme for small angle X-ray scattering by using microfocusing source and 2D multilayer optics

L. Jiang, B. Verman and B. Kim

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SAXS and WAXS characterization of nanostructured CuO

I. Torriani, A. E. Bianchi, T. Plivelic, S. Stewart and G. Punte

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Dimensions of plectonemically supercoiled DNA

J. R. C. van der Maarel, W. Jesse, S. Zakharova, C. Backendorf, S. Egelhaaf and A. Lapp

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Fiber diffraction studies on polymers using synchrotron radiation source

K. Noguchi and K. Okuyama

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Possible packing of terminal α-helices in the inner-core of the bacterial flagellar filament

K. Hasegawa, K. Imada, S. Maki-Yonekura, K. Yonekura, F. Samatey, I. Yamashita and K. Namba

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The thermostability and elasticity of spider dragline studied by synchrotron X-ray diffraction

H.-S. Sheu, K.-W. Phyu, Y.-P. Chiang, Y.-C. Jean, J.-C. Yang, S.-L. Ferng and I.-M. Tso

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Charge density study of hexaaquazinc(II) dihydrogen-1,2,4,5-benzenetetracarboxylate

N. G. Fernandes, R. Diniz, J. Ellena and T. Gustafsson

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Static experimental charge densities - model dependency on the description of hydrogen atoms

A. Madsen and S. Larsen

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A synchrotron study of charge density in β-Si₃N₄

D. J. du Boulay, A. Oono, N. Ishizawa and T. Atake

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Electron density distribution in forsterite, Mg₂SiO₄: a redetermination

A. H. Kirfel and T. Lippmann

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The electron density and magnetic properties of an iron-butterfly complex

J. Overgaard, G. A. Timco, E. Rentschler and F. K. Larsen

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Quantum crystallographic approach to quasicrystals: Compton scattering studies

Y. Sakurai, N. Hiraoka, M. Itou, J. Tamura-Okada, Y. Watanabe, S. Nanao, Y. Yokoyama, R. Tamura and S. Takeuchi

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Self-interference effect of nuclear forward scattering in an antiferromagnet ⁵⁷FeBO₃ single crystal which is excited with magneto elastic vibration of 27.56 nHz

T. Mitsui, X. Zhang, S. Kitao, Y. Kobayashi, M. Seto and S. Kikuta

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High-resolution monochromator for nuclear resonant scattering by ¹⁵¹Eu and ¹⁴⁹Sm

Y. Yoda, X. W. Zhang, M. Seto, S. Kitao and S. Kikuta

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X-ray resonant magnetic scattering at Fe 2p and Ce 3d core level in Ce(α)/Fe and Ce(γ)H₂/Fe

N. Jaouen, Jm. Tonnerre, D. Raoux, M. Muenzenberg, W. Felsch, A. Rogalev, Nb. Brooks, H. Durr and G. Van Der Laan

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Diamond refractive lens for X-ray focusing

A. Snigirev, I. Snigireva, S. Kuznetsov, M. Drakopoulos, M. Di Michiel, I. Dolbnya, L. Shabel'nikov, V. Yunkin, V. Ralchenko, I. Sychov, M. Hoffmann and E. Voges

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On-chip crystallization by free-interface and gel diffusion

H. Yamamoto, Y. Furukawa, T. Tada and A. Sanjoh

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Nanostructured superhard BC₂N material bulks synthesized under high P-T conditions

Y. Zhao and D. W. He

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High throughput protein crystallization in 96 well microplates

G. Knebel, L. Nyarsik, P. Umbach, M. Horn, T. Przewieslik, W. Saenger, H. Lehrach, P. Opfermann and H. Eickhoff

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Mechanisms and kinetics of mixed crystal formation (by an example aqua soluble salts)

L. Yu. Kryuchkova and A. E. Glikin

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Growth and poling of BaTiO₃ single crystals

T. K. Lee, H. J. Park and S. J. Chung

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Catalysed growth of doped LATGS single crystals

J. Novotnv, Z. Podvalova and J. Zelinka

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Crystal growth in the directed solution flow by in situ AFM-observations

N. N. Piskunova

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Effect of impurities on polytypism and phase transformation of gel-grown PbI₂ single crystals

M. Soudmand and S. Habibi

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Growth and characterization of nonlinear optical methyl p-hydroxy benzoate

K. Udayalakshmi and K. Ramamurthi

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Study of epitaxial growth of mixed crystals from aqueous solutions

A. E. Voloshin, A. E. Glikin, S. I. Kovalev and L. Yu. Kryuchkova

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Combining Rietveld and reflectivity for thin film analysis

L. Lutterotti, L. Cont, A. Gibaud, D. Dekadjevi, C. Wiemer and J. Ricote

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Transmission electron microscopy and optical studies of the domain structure in ferroic zinc halogen boracites

A. G. Castellanos-Guzman and M. Czank

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Revealing dislocation core structures at atomic resolution by image deconvolution

F. H. Li, D. Wang, W. Z. He, H. Chen, K. Kawasaki and T. Oikawa

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Multiple twins of diamond synthesized by acetylene flame

S. I. Son and S. J. Chung

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Real structure of iron niobate polymorphs II and III

R. Theissmann, L. Erac, H. Ehrenberg, H. Weitzel and H. Fuess

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Role of the defects in creation of the clusters on composite oxide Sn_(y)O_x thin films surface

V. Vo and L. H. Hung

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Defects in quasicrystals investigated by coherent beam X-ray imaging

J. Baruchel, S. Agliozzo, J. Gastaldi, J. Hartwig, H. Klein and L. Mancini

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X-ray topographic observations of bonded silicon-on-insulator wafers using synchrotron radiation

K. Fukuda, T. Yoshida, T. Shimura, M. Umeno and S. Iida

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X-ray imaging and ferroelectric switching studies of high potassium doped KTiOPO₄

D. Walker, P. A. Thomas, Q. Jiang, T. Lyford, P. Pernot and J. Baruchel

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X-ray topographic investigations of large oxygen precipitates in silicon

W. K. Wierzchowski, K. Wieteska, W. Graeff, M. Pawlowska and B. Surma

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Collagen-apatite complexes in very dense bones

W. Traub, L. Zylberberg, V. de Buffrenil, T. Arad and S. Weiner

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Localisation of release factor 3 on the ribosome by cryo-electron microscopy

A. G. Myasnikov, B. P. Klaholz and M. van Heel

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Detection of the arsenic-doped region in silicon by convergent-beam electron diffraction

M. Terauchi and K. Kawamura

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Experimental estimation of dynamical scattering effect on electron crystallography

S. Isoda, K. Kuwamoto and T. Ogawa

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Charge density measurement in MgB₂ by convergent-beam electron diffraction

B. Jiang, H. He, J. M. Zuo, R. C. Yu, S. C. Li, C. Q. Qin and J. C. H. Spence

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Sapphire by combined electron and X-ray diffraction

P. N. H. Nakashima, V. A. Streltsov and A. W. S. Johnson

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Combination of electron diffractometry, imaging plates (IP) and electron diffraction structure analysis (EDSA)

M. S. Nickolsky, S. Nicolopoulos, A. P. Zhukhlistov, B. B. Zvyagin and R. Ochs

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Enhancing electron diffraction structures using maximum entropy

G. Tate and C. J. Gilmore

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High-pressure polymorphism in deuterated urea

H. P. Weber, W. G. Marshall and V. Dmitriev

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Ruby luminescence pressure scale revised!

W. B. Holzapfel

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Structural study of pressure-induced magnetic phase transitions in manganites

D. P. Kozlenko, V. P. Glazkov, R. A. Sadykov, B. N. Savenko and V. I. Voronin

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CaO B1-B2 transition under high-pressure and temperature

T. Yamanaka, T. Nagai and K. Kittaka

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Isotope effects on compressibilities and pressure dependency of cage filling in methane clathrate hydrates

E. Goreshnik, A. Klapproth, H. Klein and W. F. Kuhs

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Search for interstitial electrons in the structure of Cs-IV

C. Hejny, M. I. McMahon and R. J. Nelmes

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High pressure structural studies on gallium

O. Degtyareva, M. I. McMahon and R. J. Nelmes

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Novel Hume-Rothery phases in SP metals and alloys under high pressure

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High-pressure phase transition in the Chevrel-phase SnMo₆S₈

W. Depmeier, L. Ehm, K. Knorr, A. Krimmel, P. Bouvier and M. Mezouar

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Transition to a relaxor-like phase in lead zirconate titanate (PZT) at high pressure

J. Haines, J. Rouquette, V. Bornand, M. Pintard, Ph. Papet, R. Astier, J. M. Leger and F. Gorelli

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The phase diagrams of mercury halides

M. Hostettler, V. Dmitriev, H. P. Weber and D. Schwarzenbach

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Crystal structure of the high pressure phase of PbI₂

H. Iwasaki, H. Kawamura and Y. Akahama

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Low temperature transformations of ice

S. Klotz, F. Meducin, G. Hamel, J. S. Loveday, M. Guthrie and R. J. Nelmes

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First-principles studies of phase transitions at high pressure in SiO₂

D. D. Klug, J. S. Tse, M. Geshi and X. Gonze

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Cs₂HBr₄: amorphization under pressure

D. Machon, P. Bouvier, V. Dmitriev, G. Lucazeau and H. P. Weber

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Incommensurate modulations in the structure of Bi-III

M. I. McMahon, O. Degtyareva, R. J. Nelmes, L. Palatinus and S. van Smaalen

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Complex metal structures at high pressures

R. J. Nelmes, M. I. McMahon, O. Degtyareva, T. Bovornratanaraks, C. Hejny, S. Rekhi, D. R. Allan, J. S. Loveday and S. A. Belmonte

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Pressure-induced amorphous-amorphous transition in molecular solid SnI₄

A. Ohmura, K. Sato, H. Yamazaki, N. Hamaya, M. Isshiki and Y. Ohishi

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Crystal structure of a high-pressure phase of ZrP₂O₇

C. T. Prewitt and Y. Meng

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Chemical reactions in iron-oxygen system at high oxygen fugacity under high pressure

O. Shebanova, P. Lazor and H. Annersten

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Structural study of icosahedral Cd-Yb quasicrystal under high pressure up to 40 GPa

T. Watanuki, T. J. Sato, A. P. Tsai and O. Shimomura

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Profile fitting for the extraction of accurate intensity data

R. J. Angel, J. Zhao and N. L. Ross

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The electrolytic Nb(O) solid solution

A. Arakcheeva, V. Grinevitch, V. Shamray and G. Chapuis

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Constructing a dodecagonal structure by projection in two stages

S. I. Ben-Abraham, Y. Lerer and Y. Snapir

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Simulation of the locally disordered structure in decagonal Al₇₁Co₁₃Ni₁₆

M. Kobas, Th. Weber and W. Steurer

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Study of the thermotropic phase transitions of the K₂Mo_xW_1−xO₄ compounds using Rietveld analysis

N. L. Speziali, A. A. Guarnieri, A. M. Moreira, G. Goulart Silva, C. B. Pinheiro and G. Chapuis

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Quasicrystal structure analysis, a never-ending story?

W. Steurer and A. Cervellino

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Indexing and data processing of modulated structures on CCD detectors

F. van Meurs, L. H. Straver, A. J. M. Duisenberg, A. M. M. Schreurs and R. W. W. Hooft

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The maximum entropy method in superspace

S. Van Smaalen and L. Palatinus

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Magnetic properties of ThFe_xAl_12−x powder samples

L. Dobrzynski, K. Recko, K. Szymanski, D. Satula, K. Perzynska, M. Biernacka, P. Zaleski, J. Waliszewski, W. Suski, K. Wochowski, M. Hofmann and D. Hohlwein

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Correlation between layer thickness and periodicity of long polytype coalescence in silicon carbide

J. Kelly and P. Barnes

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A new composite structural description of Ca_xMO₂ compounds (M=Cu-Co)

S. Lambert and D. Grebille

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Structural characterization of YV₄O₈

M. Onoda, A. C. Dhaussy and Y. Kanke

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Incommensurability and disorder in 4′,4-diethoxyazobenzene structure

C. B. Pinheiro, M. Gardon and G. Chapuis

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Free parameters in symmetry adapted models for modulated structure refinement

L. Pytlik, W. Sikora and F. Bialas

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Temperature dependence of the 8A superstructure in decagonal Al-Co-Ni phases

F. Frey, E. Weidner, K. Hradil, M. de Boissieu, A. Letoublon and G. McIntyre

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Monte Carlo study of 'atomic size effect' scattering in decagonal AlCoNi

M. Honal and T. R. Welberry

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Structure and phase transition of p-chlorobenzamide described in the superspace formalism

A. Schoenleber, P. Pattison and G. Chapuis

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High-temperature synchrotron measurements of decagonal Al-Co-Ni quasicrystal powders

C. Soltmann, C. Beeli, C. Baehtz and R. Lück

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Synthesis of mesoporous silica under weak acidic conditions with pluronic 123 surfactant

A. Shmakov, A. Derevyankin, M. Mel'gunov, V. Fenelonov and V. Romannikov

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Automated crystallographic phase identification using electron backscatter diffraction

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Advantages and characteristics of two-dimensional powder diffraction

B. B. He, U. Preckwinkel and K. L. Smith

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Structure study of hydrated Zr(1%Nb) reactor fuel tube cladding material

E. Svab, Gy. Meszaros, Z. Somogyvari and M. Balasko

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Powder crystallography with a microfocus X-ray source

M. Taylor, S. Menzer, J. Wall, S. Bates and G. Fraser

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Multi-step refinement YBCO with overlapping Bragg reflections

B. N. Kodess and I. P. Jouravlev

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Novel nanoporous transition metal silicates

X. Wang, L. Liu, J. Huang and A. J. Jacobson

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Structural studies of ultrafine-grained copper prepared by high-pressure torsion deformation

R. Kuzel, J. Cizek, I. Prochazka, D. Simek, J. Kub and R. K. Islamgaliev

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X-ray diffraction study of Pt and Pd electrolytic deposits on polycrystalline supports

I. Yu. Molina, L. M. Plyasova, E. R. Savinova, O. V. Cherstiouk and G. A. Tsirlina

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Grazing incidence X-ray study of ion implanted Sb nanocrystals formation

C. Wiemer, D. T. Dekadjevi, S. Spiga and M. Fanciulli

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Structures of fluconazole and its monohydrate from laboratory powder diffraction data

A. Alvarez-Larena, M. V. Capparelli and J. F. Piniella

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Pharmaceutical industry beamline at SPring-8

K. Nishijima, K. Watanabe, M. Tanaka, S. Misaki, Y. Katsuya, Y. Katsube, M. Yamamoto and T. Ishikawa

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Teaching modulated structures - a project-based approach

T. Wagner, S. Schmid and V. Petricek

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Design of modular crystallographic lectures with XML based technologies

G. Schuck and W. Steurer

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Investigation of magnetism in PrMn_2−xT_xGe₂ (T=Fe and Co) by neutron diffraction

I. Dincer, Y. Elerman, A. Elmali, H. Ehrenberg, H. Fuess, G. Andre and O. Isnard

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Structural features of 2-S substituted tetrahydropyran O,S,S-acetals

J. Kansikas and K. Sipila

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Publishing with the physical review and physical review letters

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Novel purification method and first preliminary crystallisation results of isoquinoline-1-oxido-reductase (IOR) from P. diminuta 7

A. Muller, D. R. Boer, S. Fetzner and M. J. Romao

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Time resolved X-ray absorption spectroscopy studies of metalloenzymes reveal mechanistic information beyond kinetics

I. Sagi, G. Rosenblum, O. Kleifeld and A. Frenkel

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Changes in active site geometry through non active site C95A mutation in tethered HIV-1 protease heterodimer

M. V. Hosur, K. K. Kannan and M. Kumar

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Computer predictions of organic crystal structures and properties

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The non-crystallographic phase problem and opportunities with free electron lasers

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Materials design

P. Villars and S. Iwata

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Pressure, life and molecules

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Structure-reactivity relationships of inclusion compounds

L. R. Nassimbeni

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Neutron diffraction from high-temperature superconductors and colossal magnetoresistive materials

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Insights in nicotinic receptors through acetylcholine binding protein structures

T. K. Sixma, K. Brejc, P. Celie, W. J. van Dijk, R. V. Klaassen, J. van der Oost, M. Schuurmans and A. B. Smit

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Electron crystallography

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The GTPase switch: a familiar, conserved module with unexpected variations

A. Wittinghofer

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Chemical bonding as electronic coherence

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Stereochemical approach to crystal nucleation

M. Lahav and L. Leiserowitz

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The contribution of direct methods to macromolecular structure determination

G. M. Sheldrick

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Self-organized supramolecular architectures

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Max Perutz - crystallographer, chemist, biologist and scientist

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Allosteric control of phosphoglycerate dehydrogenase in serine biosynthesis - twelve domain tetramers

L. Banaszak, J. Bell, J. Thompson and G. Grant

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Crystal structure of class II ribonucleotide reductase: how an allosterically regulated monomer mimics a dimer

C. L. Drennan, M. D. Sintchak, G. Arjara, B. A. Kellogg and J. Stubbe

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Structural basis for allosteric substrate specificity regulation in anaerobic ribonucleotide reductases

D. Logan, K.-M. Larsson, B.-M. Sjoeberg and P. Nordlund

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Regulation of GTPase activity of heterotrimeric G proteins

S. Sprang, Z. Chen, C. Thomas and Y. Wang

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Structural genomics and signaling domains

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Deriving function from structure - how do we fare?

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Crystal structure of SET3, a superantigen-family protein from a pathogenicity island in the S. aureus genome

E. N. Baker, V. L. Arcus, R. Langley, T. Proft and J. D. Fraser

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The quorum sensing protein LuxS: functional insights from structure

H. A. Lewis, E. B. Furlong, B. Laubert, G. A. Eroshkina, Y. Batiyenko, J. M. Adams, M. G. Bergseid, J. Winhoven, C. D. Marsh, T. S. Peat, W. E. Sanderson, J. M. Sauder and S. G. Buchanan

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Structures and functions of hypothetical proteins from Thermus thermophilus HB8

S. Kuramitsu, N. Nakagawa, A. Ebihara, J. Hoseki, S. Satoh, Y. Agari, K. Sumiguchi-Agari, A. Okamoto, R. Masui, T. Terada, D. G. Vassylyev, H. Sakai, T. Kigawa, S. Y. Park, J. R. H. Tame, T. Shibata, M. Shirouzu and S. Yokoyama

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Prediction of polymorphic structures and solid state transformations of organic crystals

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The use of accurate electrostatic models in crystal structure and property prediction

G. M. Day and S. L. Price

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Semiempirical quantum-chemical calculations on the lattice energies of organic molecular crystals

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Selecting the most likely predicted polymorphs using the Cambridge Structural Database

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The prediction of close packed and porous inorganic crystal structures

S. M. Woodley, C. R. A. Catlow, P. D. Battle and J. D. Gale

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Towards metal-radical supramolecular zeotype magnets. New magnetic nanoporous materials

J. Veciana, D. Maspoch, D. Ruiz-Molina, C. Rovira and K. Wurst

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A new manganese carboxylate cluster: [Mn₁₆O₁₆(OMe)₆(OAc)₁₆(MeOH)₃(H₂O)₃].6H₂O (Mn16-acetate)

S. R. Batten, D. J. Price, B. Moubaraki and K. S. Murray

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Spin density investigation for a better determination of the magnetic structure

J. Schweizer, N. Azuma, E. Lelievre-Berna, E. Ressouche and S. Tomiyoshi

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Manganese clusters as single-molecule magnets

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A history thus far of oversampling and single particle imaging

D. Sayre, J. Miao, J. Kirz, W. B. Yun, H. N. Chapman, K. Hodgson, C. Jacobsen and D. Shapiro

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3-D imaging based on X-ray microscope images

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X-ray spectromicroscopy: high resolution chemical state imaging in complex organic systems

C. Jacobsen, T. Beetz, M. Feser, H. Fleckenstein, B. Hornberger, J. Kirz, E. Lima, M. Lu, D. Shapiro, A. Stein and S. Wirick

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Electron phase microscopy to observe vortices in superconductors

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High resolution 3-D X-ray diffraction microscopy and its potential of imaging single biomolecules

J. Miao, T. Ishikawa, D. Sayre and K. O. Hodgson

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Methods for phase retrieval in the intermediate and near field

T. E. Gureyev, A. Pogany, D. M. Paganin, S. C. Mayo, A. W. Stevenson and S. W. Wilkins

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Research and education in X-ray crystallography in the predominantly undergraduate institution

K. Kantardjieff

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Teaching the mechanism of the epitaxial growth using the quantum mechanical approach

T. Ito, K. Shiraishi, A. Taguchi, H. Kageshima, Y. Kangawa and K. Nakamura

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Teaching the principles and applications of X-ray free-electron laser radiation

Th. Tschentscher

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Towards 30 years of crystallographic teaching in Erice: outcome and prospectives

P. Spadon and L. Riva di Sanseverino

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Crystallography for children

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Structural studies on the human androgen receptor ligand-binding domain

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Crystallographic and biochemical comparison of RXR homo- and heterodimerization functions

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The peroxisome proliferator-activated receptors: structural insight into ligand-mediated regulation

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Orphan nuclear receptors extend the variety of mechanisms for the ligand-dependent regulation of transcription

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The antagonistic crystal structure of the glucocorticoid receptor, ligand-binding domain

B. Kauppi, C. Jakob, M. Farnegardh, H. Ahola, M. Alarcon, K. Calles, O. Engstrom, J. Harlan, A.-K. Ramkvist, S. Thorell, J. Young, L. Ohman, J. Greer, J.-A. Gustafsson, J. Carlstedt-Duke and M. Carlquist

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Front-line drug recognition in humans by the nuclear receptor PXR

M. R. Redinbo, R. E. Watkins, S. N. Noble, G. B. Wisely, L. B. Moore, J. M. Maglich and S. A. Kliewer

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Can radiation damage in cryocooled protein crystals be mitigated?

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Radiation damage to proteins studied by temperature-controlled cryo-crystallography

M. Weik, R. B. G. Ravelli, I. Silman, J. L. Sussman, P. Gros and J. Kroon

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Protein-crystal water reconstruction in a low-temperature phase transition

S. Parkin and H. Hope

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Automated mounting of cryo-cooled crystals on Stanford synchrotron radiation laboratory beamline 11-1

M. D. Miller, A. Cohen, A. Deacon, P. Ellis, P. Kuhn and P. Phizackerley

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Phasing in the presence of radiation damage

R. B. G. Ravelli, V. Favre-Nicolin and S. McSweeney

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Novel anisotropic nanoparticles

R. Nesper, G. Patzke and F. Krumeich

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MoS₂ nanotube self-assemblies

M. Remskar, A. Mrzel and F. Levy

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CdSe cluster molecules. Synthesis, structure and optical properties

A. Eichhoefer, D. Fenske, U. Banin, V. Soloviev and A. Aharoni

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Structure study of nanosized ferrites

Z. Somogyvari, E. Svab, Gy. Meszaros, K. Krezhov, I. Nedkov, I. Sajo and F. Bouree

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Synthon robustness and void flexibility in organic host guest crystals

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Molecular polymetal-oxo cluster aggregates as building blocks for supramolecular arrays

A. K. Powell, M. Murugesu, W. Schmitt and C. E. Anson

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Aggregation-controlled proton tautomerization

K. Ogawa and J. Harada

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A novel Fe(II) framework structure: correlations to its thermal and light induced spin transitions

A. E. Goeta, A. L. Thompson, J. A. Real, V. Niel, A. B. Gaspar and M. C. Munoz

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Exploiting structure in the design of organic non-linear optical materials

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Photoemission-monitored normal incidence X-ray standing waves: structural studies of low-Z molecular adsorbates with chemical-state specificity

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Non-dipole effects in photoelectric scattering studied with X-ray standing wave

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Location of atoms using electron standing waves to excite X-rays (ALCHEMI)

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Isotopic mass and lattice constants of Si and Ge: X-ray standing wave measurements

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X-ray standing-wave investigations of valence electronic structure

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Soft modes and ferroelectric order in relaxor ferroelectrics

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Short range ordering and polaron dynamics of CMR manganites

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Charge, orbital and spin-state ordering in the perovskite-based cobaltites RBaCo₂O_5+d (0 $\le$ d $\le$ 1)

F. Fauth, E. Suard and V. Caignaert

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Neutron diffraction in structural characterization of complex oxides

I. R. Evans and J. A. K. Howard

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Crystal structure of superconducting pyrochlore oxide Cd₂Re₂O₇

T. Kamiyama, Z. Hiroi and K. Oikawa

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Structural studies on formate dehydrogenase-N from E. coli

M. Jormakka, S. Toernroth, B. Byrne and S. Iwata

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Structure and mechanism of quinol:fumarate reductase, a respiratory membrane protein complex from Wolinella succinogenes

C. R. D. Lancaster

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Toward activation mechanism of GPCRs

M. Miyano, M. Yamamoto and T. Kumasaka

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Structure and functional mechanisms of AQP1 water channel

B. Jap, B.-G. Han, J. K. Lee and P. Walian

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Early structural rearrangements in the photocycles of bacteriorhodopsin and sensory rhodopsin II

K. Edman, A. Royant, P. Nollert, J. Navarro, E. Pebay-Peyroula, E. M. Landau and R. Neutze

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RNA helicases in action

I. Sagi, A. Henn and B. Akabayov

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Visualizing molecular packing arrangements on protein crystal faces by AFM

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Atomic force microscopy in the study of virus particles, virus crystals, and viral infected cells

A. McPherson, Y. G. Kuznetsov, A. J. Malkin and M. Plomp

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High-resolution atomic force microscopy imaged complex structure of molecular chaperone Hsp70 and Hsp40

B. D. Sha, W. Hou, X. Qian and L. DeLucas

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Probing the nature of the Co(III) ion in cobalt corrinoids: the structures of some B₁₂ derivatives with coordinated ambidentate nucleophiles

H. M. Marques, C. B. Perry and M. Fernandes

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Assembly of functional supramolecular solids from metal and organic building blocks

M. P. Suh, H. J. Choi and J. W. Ko

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Structure and magnetism of dicyanamide coordination polymers

S. R. Batten, P. Jensen, A. M. Kutasi, B. Moubaraki, K. S. Murray, D. J. Price and P. M. van der Werff

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New polymeric architectures assembled with tetra(4-pyridyl)porphirine building blocks

D. Proserpio, L. Carlucci, G. Ciani and F. Porta

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Supramolecular organization in ruthenium complexes

J. Ellena, M. B. Ribeiro, A. A. Batista, J. R. Sousa, K. Wonhrath, L. R. Dinelli and E. E. Castellano

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Capillary optics in X-ray diffractometry of crystals

M. A. Kumakhov, E. K. Koviev, M. S. Akchurin and S. N. Polyakov

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Present and future high brilliance X-ray sources

Th. Tschentscher

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X-ray microfocusing: techniques and applications

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Coherence and the ultimate in energy resolution

T. Ishikawa, M. Yabashi, K. Tamasaku and H. Yamazaki

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New challenges for X-ray optics

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The use of synchrotron and neutron radiation for time- and space-resolved powder diffraction studies in materials science

P. Barnes, J. K. Cockcroft, S. D. Jacques, R. Pisula, E. Lalik, F. Lupo, M. Johnson, D. Hooper and M. Betson

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Ultra-high speed neutron diffraction studies of the combustion synthesis of Ti₃SiC₂ and related compounds

E. H. Kisi and D. P. Riley

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Freezing transitions in myoglobin studied by powder diffraction

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Structure of binary CaO-Al₂O₃ and SrO-Al₂O₃ liquids by combined levitation-neutron diffraction

C. Benmore, J. K. R. Weber, J. A. Tangeman, J. Siewenie and K. J. Heira

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On structural phase transitions in perovskites

C. J. Howard, B. J. Kennedy, E. H. Kisi, K. S. Knight and V. Luca

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The European Bioinformatics Institute Macromolecular Structure Database (E-MSD)

K. Henrick, D. Dimitropoulos, P. Keller, J. Ionides, E. Krissinel, S. Velankar, H. Boutselakis, P. McNeil, A. Golovin and J. Pineda

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Data annotation, processing methods, and tools at the PDB and NDB

Z. Feng, H. Hyang and J. D. Westbrook

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The Protein Data Bank: data distribution and query functionality

W. F. Bluhm, T. Battistuz, E. Clingman, N. Deshpande, W. Fleri, D. S. Greer, D. Padilla, D. Stoner, H. Weissig and P. E. Bourne

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Creating the Cambridge Structural Database (CSD): a CCDC editors view of data acquisition, validation and registration of new entries

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New CIF editing software and examples of common CIF problems

B. Smith, C. F. Macrae and O. Johnson

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Harmonising thermodynamic and crystallographic information when modelling phases using the Calphad approach

S. Fries and B. Sundman

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Properties computed ab initio from structure database entries: results and perspectives

Y. Le Page, P. W. Saxe and J. R. Rodgers

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Industrial problem solving using multiple databases

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Computed data in the design of materials

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Databases linked to electronic publications

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Fueling peptide transport: structure of an ABC ATPase domain of TAP, the transporter associated with antigen processing

R. Gaudet and D. C. Wiley

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Three-dimensional structure of the bacterial protein translocase at 8 Å resolution

C. Breyton, W. Haase, I. Collinson and W. Kuehlbrandt

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Structural basis for the interaction between Fg-nucleoporins and NTF₂

R. Bayliss, B. B. Quimby, A. Corbett and M. Stewart

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The role of Sec1 and complexin in neurotransmission

W. Weissenhorn, J. Kadlec, A. Bracher and H. Betz

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Crystal structure of pea Toc34 - a novel GTPase of the chloroplast protein translocon

C. Hsiao, Y. Sun, F. Forouhar, H. Li, S. Tu and C. Chen

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Extension of RasMol to display surfaces, to handle CML/XML and other new features

H. J. Bernstein and F. C. Bernstein

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Quantitative visualization of molecules and their properties

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Component-based software development, applications to structural molecular biology

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Tangible interfaces in molecular biology

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Neutron diffraction studies on transition metal hydride complexes

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Single crystal pulsed neutron diffraction studies of transition metal hydrogen interactions

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Predicting structures and energetics in transition metal polyhydride complexes

M. B. Hall and C. E. Webster

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Interconversion of dihydrogen and hydride ligands in transition metal complexes

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New metal hydrides containing transition metal hydrogen complexes

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2D-3D transitions in lung surfactant

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Fluid free bilayers: a model system to study membranes

T. Charitat, E. Bellet-Amalric, A. Braslau, J. Daillant, G. Fragneto, F. Graner and K. Mecke

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Homochiral oligopeptides obtained by lattice-controlled reactions in two-dimensional crystalline assemblies on water

I. Weissbuch, K. Kjaer, L. Leiserowitz and M. Lahav

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Self-assembling and chemical responsive gold nanoparticles studied at the air-water interface using synchrotron X-rays

T. Bjornholm, K. Norgaard, K. Kjaer and M. Brust

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Epitaxy of CdS and PbS on fatty acid monolayer: lattice matching and stereochemical relations

E. Rakova, N. Stepina, V. Klechkovskaya and L. Feigin

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Enhancement of high-resolution electron microscopy by electron diffraction

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Phase retrieving and extension by combination of TIE and Gerchberg-Saxton algorithm

F.-R. Chen, W.-K. Hsieh, U. Dahmen and J.-J. Kai

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Mapping crystallographic distributions in the transmission electron microscope

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Refinement of crystal structural parameters and charge density using convergent-beam electron diffraction

K. Tsuda, Y. Ogata and M. Tanaka

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Correlation between short and long range ordering in crystal growth?

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Angle-resolved photoemission from strongly correlated systems

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Fermiology via high resolution Compton

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Inelastic X-ray scattering of magnetic materials

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Positron annihilation studies of quantum structures

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Structure studies on the retinoblastoma tumour suppressor protein and its role in the cell cycle

B. Xiao, J. Spencer, A. Clements, N. Ali-Khan, S. Mittnacht, C. Broceno, M. Burghammer, A. Perrakis, R. Marmorstein and S. J. Gamblin

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Plasmodium falciparum cyclin dependent kinases

M. Noble, C. Doerig, J. Endicott, S. Holton, K. Le Roch, L. Meijer and A. Merckx

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The Mad1-Mad2 complex: implications of a 'safety belt' binding mechanism for the spindle checkpoint

A. Musacchio, L. Sironi, M. Mapelli, S. Knapp, A. DeAntoni and K.-T. Jeang

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Three-dimensional structure of the human anaphase-promoting complex

C. Gieffers, P. Dube and J.-M. Peters

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Structural basis for Chk1 inhibition by UCN-01 and its analogs

B. Zhao, M. J. Bower, P. J. McDevitt, H. Zhao, S. T. Davis, K. O. Johanson, S. M. Green, N. O. Concha and B. Zhou

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Porous silicon: a nucleation-inducing material for protein crystallization

N. E. Chayen, E. Saridakis, R. El Bahar and Y. Nemirovsky

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The Biological Macromolecule Crystallization Database: new data, crystallization procedures and strategies

G. L. Gilliland, M. Tung and J. E. Ladner

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Tutorial talk on SASE-FEL and X-FEL project at SPring-8

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Energy recovery linac (ERL) synchrotron radiation sources

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Non-linear phenomena in molecules and clusters induced by intense VUV radiation from a FEL

T. Moeller, H. Wabnitz, J. Schulz, T. Laarmann, P. Guertler, A. Swiderski and W. Laasch

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Femtosecond X-ray diffraction applications to biology and solid-state physics

D. Boschetto, C. Rischel, S. Fourmaux, I. Uschmann, O. Albert, J. Etchepare and A. Rousse

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From very weak to very strong hydrogen bonds - testing the limits and finding applications using halogens

L. Brammer, E. A. Bruton, J. K. Swearingen, P. Sherwood, S. L. Purver and H. Adams

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Enforced folding by localized intramolecular hydrogen bonds: hollow helices with tunable cavity size

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Can hydrogen be off-centred even in a centrosymmetric environment?

I. Olovsson, H. Ptasiewicz-Bak, T. Gustafsson and I. Majerz

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Stereospecific interactions of histidine with other planar groups in protein structures

P. Chakrabarti, R. Bhattacharyya, R. Saha and U. Samanta

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Hydrogen bonding in RNA systems viewed by molecular dynamics simulations

P. Auffinger, L. Bielecki and E. Westhof

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Generation and application of structure envelopes

C. Baerlocher, L. B. McCusker and S. Brenner

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Indexing and structure refinement - new frontiers for crystal structure determination from powder diffraction data

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Indexing of powder diffraction patterns by iterative use of singular value decomposition

A. A. Coelho and A. Kern

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A new method for completing a polyhedrally coordinated structure in EXPO2002

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

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Maximum likelihood applied to structure solution from powder diffraction data

A. J. Markvardsen

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Diffuse scattering studies of phonon dispersion relations and phase transitions

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Synchrotron X-ray diffuse scattering reveals mosaic stacking-fault pattern in zeolite mordenite

B. J. Campbell, T. R. Welberry, R. W. Broach and A. K. Cheetham

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X-ray diffuse scattering in the ferroelectric materials

A. Pietraszko and K. Lukaszewicz

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Magnetic diffuse scattering from Zn-Mg-RE and Cd-Mg-RE (RE: rare-earth) icosahedral quasicrystals

T. J. Sato, H. Takakura, A. P. Tsai, K. Ohoyama, K. Shibata and K. H. Andersen

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Diffuse scattering by Fe-Ni solid solution alloys

G. E. Ice, C. J. Sparks, J. L. Robertson and R. I. Barabash

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Structures, orientational ordering and phase transitions in C₇₀ single crystals

R. Moret, S. Rodts and P. Launois

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The FERM domain, a versatile protein module in signal transduction

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The structural basis for localisation and signalling by the focal adhesion targeting domain

S. T. Arold, M. H. Hoellerer, J. Werner, I. D. Campbell and M. E. M. Noble

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An enzyme in a scaffold: conformational modulation of serotonin N-acetyltransferase by 14-3-3

F. Dyda, R. Ghirlando, S. Ganguly, D. C. Klein and T. Obsil

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Structure of the full-length HPr kinase phosphatase, mimicking the product/substrate of the phospho transfer reactions

K. Scheffzek, S. Hasenbein, B. Koch, S. Nessler, R. B. Russell, W. Hengstenberg and J. A. Marquez

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Structural basis for the signal transduction by the TRAF proteins

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Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site

L. Tong, C. Pargellis, L. Churchill, P. Cirillo, T. Gilmore, A. G. Graham, P. M. Grob, E. R. Hickey, N. Moss, S. Pav and J. Regan

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Structure based design of selective PTP1B inhibitors

L. Iversen, H. Andersen, K. Moller, O. Olsen, S. Brenner, S. Mortensen, T. Hansen, J. Lau, C. Jeppesen, G. Peters and N. Hundahl Moller

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Discovery of small molecular Bcl-2 inhibitors as potential anticancer drugs

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Crystallographic studies of site I drugs bound to the human serum albumin-myristate complex

J. Ghuman, I. Petitpas, A. Bhattacharya and S. Curry

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Ribosomal antibiotics: the sticks in the wheel

R. Zarivach, F. Schluenzen, A. Bashan, J. Harms, H. Bartels, F. Franceschi, M. Kessler, I. Agmon and A. Yonath

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The derivation of non-merohedral twin laws

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Twins and multiple polymorphs occurring in energetic organic materials

R. D. Gilardi and J. L. Flippen-Anderson

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Information loss from polytypic disorder

H. Birkedal, M. Hostettler and D. Schwarzenbach

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Identification of idealised parent structure symmetry to rationalise the refinement of pseudo symmetric crystal structures

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Quantitative analysis of planar faulting

E. Estevez-Rams, R. Lora-Serrano, A. Penton-Madrigal and H. Fuess

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In situ observation of unstable molecules by X-ray analysis

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Designing anthracene based binary systems dedicated to the solid-state synthesis

Z. Urbanczyk-Lipkowska and B. Szczesna

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Light-induced metastable states in nitrosyl-compounds and their peculiar physical properties

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Changes in solid state: what can be expected from charge density analysis?

S. Pillet, M. Souhassou and C. Lecomte

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Phase relations in the Sr-Re-O system

K. Bramnik, R. Theissmann, H. Ehrenberg and H. Fuess

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Characteristic energy losses of channeled electrons; reciprocity and double alignment

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Electron channeling X-ray spectroscopic study of partially disordered magnesium-aluminate spinel

S. Matsumura, T. Soeda, M. Shimada and N. J. Zaluzec

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The ordering state of Ti₂AlNb

I. P. Jones, P. M. Sarosi and J. A. Hriljac

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Prospects for ALCHEMI using electron energy loss spectroscopy in the transmission electron microscope

A. Scott, R. Brydson, A. Brown and C. Calvert

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Linear approximations for determining atomic sublattice occupancies by ALCHEMI

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ALCHEMI studies on Al-Ni-Co decagonal quasicrystals

K. Saitoh, M. Tanaka and A. P. Tsai

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Detector needs at a third generation synchrotron source

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Pilatus: a 2-dimensional X-ray detector for macromolecular crystallography

E. Eikenberry, Ch. Broennimann, G. Huelsen, H. Toyokawa, R. Horisberger, B. Scmitt, C. Schulze-Briese and T. Tomizaki

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Large format IP scanner with multi-reading heads for automated protein crystallography using SR

N. Sakabe, K. Sakabe, T. Higashi, C. Katayama, N. Igarashi, M. Suzuki, N. Watanabe and K. Sasaki

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Advances in X-ray conversion technology for CCD detectors

R. Durst, T. Thorson, S. Foundling, D. Osten, J. Phillips, J. Morse and E. Westbrook

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Structures of a Y-family polymerase in active ternary complexes: a mechanism for error-prone and lesion-bypass replication

H. Ling, F. Boudsocq, R. Woodgate and W. Yang

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Crystal structure of exonuclease RecJ bound to manganese ion

A. Yamagata, Y. Kakuta, R. Masui and K. Fukuyama

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Rhamnogalacturonan lyase reveals a unique fold and suggests a common polysaccharide lyase mechanism

M. A. McDonough, R. Kadirvelraj, P. Harris, J.-C.N. Poulsen and S. Larsen

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The structure of the orange carotenoid protein

C. A. Kerfeld, M. R. Sawaya, V. Brahmandan, D. W. Krogmann, K. K. Ho and T. O. Yeates

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Structures of platelet-receptor glycoprotein Ib and its complex with von Willebrand factor domain A1

E. G. Huizinga, S. Tsuji, R. A. P. Romijn, M. E. Schiphorst, Ph. G. de Groot, J. J. Sixma and P. Gros

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The de novo phasing of native macromolecular structures using softer X-rays

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Correlated single-wavelength anomalous diffraction phasing and refinement

N. S. Pannu and R. J. Read

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The 160 selenium atom substructure of KPHMT

F. von Delft and T. L. Blundell

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Enhancements in autoSHARP and SHARP, with applications to difficult phasing problems

G. Bricogne, C. Vonrhein, W. Paciorek, C. Flensburg, M. Schiltz, E. Blanc, P. Roversi, R. Morris and G. Evans

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Structure determination of the extracellular domain of the LDL receptor: a non-trivial case of MAD phasing

G. Rudenko, L. Henry and J. Deisenhofer

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Radiation decay - a new tool in macromolecular crystallography

Z. Otwinowski, D. Borek and W. Minor

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Polymorphism: a brief overview

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Two closely related polymorphs (Z′=1/2 and Z′=10) that seem to coexist

C. P. Brock, X. Hao and S. Parkin

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Cocrystals with at least one pharmaceutical component

M. J. Zaworotko, B. Moulton, R. Walsh, L. Morales and S. Fleischman

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Crystalline water adducts of drug compounds

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Molecular interactions and transformation kinetics in polymorphic fat crystals

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Time-resolved structural studies of hydroxymethylbilane synthase (HMBS)

A. Haedener, Y.-P. Nieh, A. Cassetta, J. Raftery, A. C. Niemann, P. D. Carr, M. Wulff, T. Ursby, J.-P. Moy, A. W. Thompson and J. R. Helliwell

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Structural intermediates in the photocycle of E46Q mutant photoactive yellow protein

S. Anderson, V. Srajer, R. Pahl, H. Ihee, S. Rajogopal, S. Crosson, M. Schmidt, F. Schotte, P. A. Anfinrud, M. Wulff and K. Moffat

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Structure analysis of photo-induced reactive intermediate in a crystal

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Crystal structure of an iron(II) complex in a metastable light induced magnetic state

D. Chasseau, M. Marchivie, P. Guionneau, A. E. Goeta, J. F. Letard and J. A. K. Howard

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Stroboscopic time-resolved diffraction at atomic resolution

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Beyond classical Rietveld analysis using Le Bail fitting

L. M. D. Cranswick and A. Le Bail

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On-line X-ray diffraction for quantitative phase analysis: an industrial application of the Rietveld method

N. V. Y. Scarlett, I. C. Madsen and P. Storer

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Practical application of the Rietveld texture analysis in material science: problems and solutions

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Improving the accuracy of size/micro strain estimation by first principles - Monte Carlo ray-traced fundamental parameters profiles

J. Bergmann and R. Kleeberg

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An accurate molecular structure determination using conventional X-ray powder diffraction data of small organic molecule and polymer mixture

N. Jaiboon, M. Prajaubsook, N. Chaichit, K. Siritaedmukul and S. Hannongbua

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Resonant X-ray scattering at metal insulator transitions

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Resonant X-ray scattering from orbitally ordered systems

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Anisotropy in resonant anomalous scattering

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On the importance of the 'smooth' energy variation in resonant diffraction spectra

J. L. Hodeau, S. Bos, V. Favre-Nicolin, S. Grenier, H. Renevier, E. Lorenzo and J. F. Berar

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A novel resonant X-ray diffraction method to study thermal motion and point defects in crystals

J. Kokubun, K. Ishida, V. E. Dmitrienko, A. Kirfel and E. N. Ovchinnikova

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Metal ions and the conformation of peptides forming amyloid deposits in Alzheimer and prion disease

G. Menestrina, M. Comai, C. Potrich, M. Dalla Serra, G. Guella, R. Frassanito, C. Meneghini, S. Mobilio and S. Morante

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Three-dimensional structure of the complexin/snare complex

D. R. Tomchick, X. Chen, E. Kovrigin, D. Arac, M. Machius, T. C. Sudhof and J. Rizo

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Elucidation of the activation and deactivation mechanisms of the ampa receptor GluR2 by X-ray crystallography and electrophysiology

J. Kastrup, A. Hogner, M. L. Lunn, C. Kasper and I. K. Larsen

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Structure of human monoamine oxidase B, a drug target for neurological disorders

A. Mattevi, D. E. Edmondson and C. Binda

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Three dimensional structural view of metabotropic glutamate receptor activation

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Tunnels and cavities sustain activity in 'truncated hemoglobins'

M. Bolognesi, M. Milani and A. Pesce

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Crystallographic studies of heme enzymes engineered for ligand binding

D. Goodin, A.-M. Hays, R. Rosenfeld, A. Nigro, A. R. Dunn and H. B. Gray

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New aspects of the structural and spectroscopic chemistry on [NiFe]hydrogenase

Y. Higuchi, H. Ogata, S. Hirota, S. Adachi, T. Yagi and N. Yasuoka

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Hybrid cluster protein (HCP) from Desulfovibrio vulgaris and Desulfovibrio desulfuricans: aerobic, anaerobic and reduced structural studies

P. F. Lindley, D. G. Aragao, S. Macedo, C. Frazao, E. Mitchell, C. V. Romao, M. Teixeira, W. R. Hagen and M. A. Carrondo

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Crystal structure and X-ray absorption spectroscopic analysis of the ferric uptake regulator

E. Pohl, J. C. Haller, A. Mijovilovich, W. Meyer-Klaucke, E. Garman and M. L. Vasil

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Mineralomimetic systems using cadmium cyanide clathrates

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Crystal engineering of organic-inorganic hybrid solids

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Hydrogen bonded molecular assemblies

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Macrocycles, catenanes and knots: self organisation of simple building blocks

M. Nieger and F. Voegtle

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Supramolecular wire-type confinement for iodine molecules in an organic zeolite

T. Hertzsch, F. Budde, E. Weber and J. Hulliger

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Phase transitions in perovskite-type relaxor ferroelectrics

J. Kreisel, P. Bouvier, P. A. Thomas and A. M. Glazer

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Phase transitions in pB(Zr_xTi_1−x)O ₃ ceramics: some recent developments

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Nucleation and relaxation in ferroelastic phase transitions

A. E. Jacobs and S. H. Curnoe

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General procedure for obtaining microscopic mechanisms of reconstructive phase transitions in crystalline solids

H. T. Stokes and D. M. Hatch

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Relation between structural phase transitions and transformation twins of KLiSO₄

Ch. Scherf, N. R. Ivanov, Th. Hahn, H. Klapper and G. Heger

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Multipole refinements and maximisation of entropy. Competing or complementary methods

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How accurate are the electron momentum and charge density maps obtained by the maximum entropy method

L. Dobrzynski and J. Waliszewski

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MEM charge density studies for materials with characteristic physical properties

M. Sakata, M. Takata and E. Nishibori

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Maximum likelihood density modification under maximum entropy control

P. Roversi, E. Blanc, R. Morris, C. Flensburg and G. Bricogne

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Maximum entropy method analysis of thermal motion and disorder in thermoelectric clathrate Ba₈Ga₁₆Si₃₀

B. Iversen and A. Bentien

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Low-temperature HRTEM analysis of charge- and orbital-ordered structures in perovskites

Y. Matsui, T. Nagai, T. Asaka, K. Kimoto, T. Kimura and Y. Tokura

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Advanced transmission electron microscopy and the nanoworld: what can be done these days to solve materials problems?

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Can HRTEM and electron diffraction become the basis for routine structure solution and refinement in industrial R&D?

W. Sinkler and R. W. Broach

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Aberration-corrected stem: towards the ultimate resolution for imaging and analysis

S. J. Pennycook, A. R. Lupini, L. Krivanek, N. Delby and P. D. Nellist

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Quantitative refinement of nanostructures with X-ray precision by HREM: a dream?

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Principles and molecular mechanism of membrane protein crystallization in lipidic cubic phases

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Protein and virus crystallography at high hydrostatic pressure beyond 2 kbar

R. Kahn, I. Ascone, M. Mezouar, E. Girard, P. Bouvier, J. E. Johnson and R. Fourme

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Neutron and X-ray structure analyses of poly(pyridobisimidazole) PIPD

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Metal ordering of 2ZnS-CuInS₂ (ZCIS) solid solution series studied by neutron diffraction

S. Schorr, M. Tovar and K. Bente

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Crystal structure of 3-mercapto-4-N-(3′,4′,5′-trimethoxybenzylidene)-5-phenyl-1,2,4-triazole (C₁₈H₁₈N₄O₃S)

M. K. Kokila, P. DyaveGowda, N. M. V. Veerammana, H. Narayanappa, M. V. Kulkarni, G. K. Rao, J. S. Prasad and J. Gowda

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Crystal structure of ethyl (2-amino-4-phenyl-5-thiazolyl)acetate

P. DyaveGowda, M. K. Kokila, N. M. V. Veerammana, H. Narayanappa, M. V. Kulkarni, G. K. Rao, J. S. Prasad and J. Gowda

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Crystallographic computing: where do we go now?

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FORTRAN archaeology: an issue for a knowledge organization like the IUCr?

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SHELX: 30 years of open source experience

G. M. Sheldrick

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Recent developments using the Paris-Edinburgh cell for neutron diffraction at high pressure and high temperature

Y. Le Godec, M. T. Dove, S. A. T. Redfern, W. G. Marshall, M. G. Tucker, G. Syfosse and S. Klotz

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Phonon density of states in iron-based materials at high pressures

V. V. Struzhkin

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Latest developments in laser heating of diamond anvil cells at very high pressure

D. Andrault, E. Schultz, M. Mezouar and G. Fiquet

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Teaching macromolecular crystallography: integrating theory with 'hands-on' experience

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Protein crystallography as taught in ACA summer course in crystallography

J. P. Rose, M. G. Newton and B. C. Wang

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Teaching and learning protein crystallography over the Internet

J. K. Cockcroft, H. P. C. Driessen, D. S. Moss and I. J. Tickle

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Using the web as a crystallographic teaching resource

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StarDDL: towards the unification of Star dictionaries

S. R. Hall, N. Spadaccini, I. D. Castleden, D. du Boulay and J. D. Westbrook

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Star ↔ XML tools: links to W3C exchange standards

N. Spadaccini, G. Mildenhall and S. R. Hall

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Inverse melting in polymers

S. Rastogi and G. W. H. Hoehne

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How the PDB uses mmCIF

J. D. Westbrook, M. Kusunoki, Z. Feng and H. M. Berman

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Yaxdf and the interaction between CIF and XML

H. J. Bernstein and F. C. Bernstein

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CIF and chemical information systems

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Parabolic refractive X-ray lenses for microscopy and microanalysis

M. Kuhlmann, C. G. Schroer, B. Benner, T. F. Guenzler, J. Meyer, B. Lengeler, C. Rau, T. Weitkamp, A. S. Simionovici, A. Snigrev and I. Snigreva

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Quantitative X-ray projection ultramicroscopy using a scanning electron microscope

S. W. Wilkins, S. C. Mayo, P. R. Miller, T. J. Davis, T. E. Gureyev, D. Paganin, A. Pogany, A. W. Stevenson, D. Gao and D. J. Parry

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Software for neutron single crystal diffractometer TriCS

O. Zaharko, M. Koennecke and J. Schefer

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Neutron diffraction study of the crystalline-state photoracemization of a bulky alkyl group in a cobaloxime complex

T. Ohhara, S. Ikeda, I. Tanaka, N. Niimura and Y. Ohashi

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Diffraction thermometry and differential thermal analysis

D. P. Riley, E. H. Kisi, R. I. Smith and S. J. Kennedy

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Comparative SANS and PCS investigations of the influence of trehalose and glycerol on the temperature dependent conformational properties of a hydrosoluble model system: poly(ethylene oxide)

G. Romeo, C. Branca, S. Magazu, G. Maisano, F. Migliardo and P. Migliardo

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An integrated approach to handling non-merohedral twins

L. M. Daniels, B. R. Vincent, C. Svensson, J. M. Edwards, K. W. Yates and J. D. Ferrara

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Data quality and the modern CCD detector

J. Flippen-Anderson, J. R. Deschamps and C. George

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Sub-second X-ray diffraction measurement and structure analysis using MSGC

H. Uekusa, Y. Ohashi, A. Ochi and T. Tanimori

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High resolution X-ray diffraction with simple intermetallic compounds

H. Borrmann, M. Armbruester, U. Burkhardt, A. Leithe-Jasper, H. Zhang and Yu. Grin

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Finding the optimal conditions for data collections using the Nonius $\kappa$ CCD

H. O. Sorensen and S. Larsen

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New hardware and tools for macromolecular cryocrystallography

C. Bauer, M. Benning, B. He, R. Durst and M. Li

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Towards the automation of protein crystallography on the SRS

E. Duke, S. Buffey, M. Bailey, S. Kinder, K. Ackroyd, A. Grant, N. Bliss and C. Nave

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Development of a vacuum chamber for a closed cycle helium cryostat with minimum background

M. Messerschmidt and P. Luger

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The possibility of atom cluster imaging by free electron X-ray lasers

G. Faigel, Z. Jurek and M. Tegze

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Application of the LDE method to a composite crystal structure

H. Shigeta, M. Shiono and H. Takakura

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Structure and electronic properties of epitaxial Fe-Co-O thin films

C. L. Chang, C. L. Chen, C. L. Dong and G. Chern

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Quadratic approximation of the maximum-likelihood criterion

P. Afonine, V. Y. Lunin and A. Urzhumtsev

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Polymorph selection, and crystal prediction as part of crystal engineering strategy

N. Blagden, R. Davey and W. Cross

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Crystal structure predictions in assistance to experimental studies of solid-state phenomena and processes

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Molecular dynamics study of a nanotube: tryptophylglycine

Y. Pan, P. Pattison, H. Birkedal and G. Chapuis

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Ab-initio structure determination of a Cu(II)-Schiff base complex from X-ray powder diffraction data

S. Banerjee, A. K. Mukherjee, M. A. Neumann and D. Louer

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Temperature dependent synchrotron X-ray powder diffraction studies: Fe(II) spin crossover complexes

E. Dova, A. F. Stassen, E. Nishibori, K. Kato, R. Peschar and H. Schenk

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Restrained Rietveld refinement of molecular materials following ab-initio structure solution from powder diffraction data

H. Nowell, J. P. Attfield and J. C. Cole

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Structure determination of two organic compounds from laboratory X-ray data, employing the XCelerator detector

C. A. Reiss and K. Goubitz

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PATSEE - a valuable tool for structure determination from powder diffraction data

S. Ruehl and E. Egert

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Structure determination of anhydrous caffeine C₈H₁₀N₄O₂ from X-ray powder diffraction data

F. Stowasser and C. Lehmann

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Differential evolution as a method of structure solution from powder diffraction data

M. Tremayne and C. C. Seaton

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FOX: modular approach to structure solution using powder data

R. Cerny and V. Favre-Nicolin

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Ab-initio solution of incommensurate modulated structures from powder diffraction - a simulation

J. R. Chen, Y. X. Gu and H. F. Fan

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EXPO2002: the new heir of EXPO

A. G. G. Moliterni, A. Altomare, R. Caliandro, C. Cuocci, C. Giacovazzo, A. Guagliardi and R. Rizzi

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Ab-initio structure determination of LiBi₃V₂O₁₀ by powder X-ray diffraction

D. Porob and T. N. Guru Row

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EXPOL: data analysis software for extracting more single-crystal-like intensities from data collected on a textured sample

S. Prokic, L. B. McCusker and Ch. Baerlocher

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Structure solution and refinement of various minerals by ab initio powder diffraction methods

K. S. Wallwork, A. Pring, M. R. Taylor and B. A. Hunter

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Bulk solvent and its role in macromolecular phasing

A. Fokine, N. Lununa, V. Y. Lunin and A. Urzhumtsev

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Hydrogen migration mechanism in chiral lactam formation by X-ray and neutron diffractions

T. Hosoya, H. Uekusa, Y. Ohashi, T. Ohhara, H. Kimura and Y. Noda

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Structural characterization of dibenzothiophene 5,5-dioxide by X-ray powder diffraction

J. A. Henao Martinez, J. A. Pinilla, J. C. Poveda, D. Molina and C. Baldrich

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Powder diffraction studies of new fibrillar molybdates with organic cations

W. Lasocha, B. Wlodarczyk-Gajda, M. Grzywa and A. Rafalska-Lasocha

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X-ray Rietveld analysis of the diffraction pattern

S. Loginova and L. Aleshina

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Asymmetry from axially focusing monochromators

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Molecular dynamics simulation of diffuse scattering in quartz

K. Kihara and N. Matsui

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Electronic structure calculation of β-MnO₂ having impurities and defects

D. Y. Lee, B. S. Kim and J. S. Song

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Molecular dynamics simulations of LiMn₂O₄ spinel

K. Tateishi, D. J. du Boulay and N. Ishizawa

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Conformational analysis of elastic repeat motif in titin

M. Sun and Y. F. Zhao

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Structural heterogeneity in twinned Yb_2−x(Fe,Ga)_17+2x polytypes

Y. Filinchuk, H. Birkedal, R. Cerny, M. Hostettler, O. Bodak and K. Yvon

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A single crystal X-ray and HRTEM study of a new series of intermetallic compounds D_yCu_x (x = 4.5, 4 and 3.5)

R. Cerny, L. Guenee, R. Wessicken and K. Yvon

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The optimisation of the geometry of the octahedral complex of L-ascorbic acid and metal ions(II) using semi-empirical CNDO calculation with minimisation based on Polak-Ribier conjugate gradient method

E. Kleszczewska and T. Kleszczewski

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Structural studies of a novel low-light LH2 complex

A. Lawless, M. Papiz, L. Hibberd, F. Sweeney and H. Tharia

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Studies on the glial cell-line derived neurotrophic factor (GDNF) co-receptor α1

V.-M. Leppanen, M. Bespalov, M. Saarma and A. Goldman

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The 1.9 Å structure of α-N-acetylgalactosaminidase: molecular basis of glycosidase deficiency diseases

S. C. Garman, L. Hannick, A. Zhu and D. N. Garboczi

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Crystal structure of the protease domain of a heat shock protease

K. K. Kim and D. Y. Kim

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X-ray structural analysis of alginate lyase A1-III mutants/substrate complexes: activation of a catalytic tyrosine residue by a flexible lid loop

B. Mikami, S. Suzuki, H.-J. Yoon, O. Miyake, W. Hashimoto and K. Murata

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Cubic crystal forms of the actin binding protein profilin from Acanthamoeba and Saccharomyces cerevisiae

A. Fedorov, S. Vorobiev, W. Shi, E. Fedorov and S. C. Almo

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Molecular basis of anchoring the giant muscle protein titin within the sarcomeric Z-disc

N. Pinotsis, A. Popov, O. Mayans, D. Svergun, M. Koch, M. Gautel, M. Wilmanns and P. Zou

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X-ray analysis of D(GCGAACGC): intra-duplex and inter-duplex hand-in-pocket motifs

J. Kondo, T. Sunami, I. Hirao, K. Miura and A. Takenaka

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The new Nucleic Acid Database Atlas

B. Schneider, H. M. Berman, Z. Feng, L. Iype, X.-J. Lu, W. K. Olson, J. Westbrook, H. Yang and C. Zardecki

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X-ray structure of D(GCGAAAGCT), parallel-stranded DNA duplex with homo base pairs

T. Sunami, J. Kondo, I. Hirao, K. Watanabe, K. Miura and A. Takenaka

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X-ray structure of D(GCGAAGC), switching of partner for G:A pair in duplex form

A. Takenaka, T. Sunami, J. Kondo, K. Watanabe, K. Miura and I. Hirao

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Structural implications for substrate binding by Pyrococcus furiosus DNA primase

M. A. Augustin, R. Huber and J. T. Kaiser

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Structure of the RPA trimerization core

A. Bochkarev, E. Bochkareva and S. Korolev

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Bacterial offense and defense strategies using nuclease toxins

H. Fu, Y. Cheng, W. Ku, M. Sui, K. Hsia, L. Tsai, K. Chak and H. S. Yuan

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Structure of a bacterial quorum-sensing transcription factor complexed with autoinducer-type pheromone and DNA

A. Joachimiak, R. Zhang, T. Pappas, J. Brace, P. Miller, J. Bashkin and S. Winans

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Crystal structures of the TDM-2 antibody Fab fragment in complex with cis-syn cyclobutane thymidine nucleotides

T. Kimura, R. Mizutani, Y. Satow, Y. Komatsu, E. Ohtsuka and O. Nikaido

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Crystal structure of intein homing endonuclease II encoded in the Archaeal DNA polymerase gene

H. Matsumura, H. Takahashi, H. Hashimoto, M. Nishioka, S. Fujiwara, M. Takagi, T. Imanaka, T. Inoue and Y. Kai

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Crystal structure of the C/EBPα bZIP domain bound to DNA

M. Miller, Z. Dauter, A. Wlodawer, J. Shuman, T. Sebastian and P. F. Johnson

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Crystal structure of CbnR, a LysR-type transcriptional regulator

S. Muraoka, R. Okumura, T. Nonaka, N. Ogawa, K. Miyashita and T. Senda

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Structural basis for DNA mismatch recognition by the enzyme MutS

G. Natrajan, M. H. Lamers, H. H. K. Winterwerp, A. Perrakis and T. K. Sixma

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The crystal structure of the single-stranded DNA-binding protein from Mycobacterium tuberculosis

M. Vijayan, J. Jeyakanthan, J. Venkatesh, N. Acharya, K. Sekar, U. Varshney and K. Saikrishnan

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Structure of the RTP/DNA complex and its role in polar fork arrest

J. Vivian, J. Wilce and M. Wilce

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Structural analysis of TBP-interacting protein (Tk-TIP26) from hyperthermophilic archaeon Thermococcus kodakaraensis strain kod1

T. Yamamoto, H. Matsumura, T. Inoue, T. Matsuda, M. Morikawa and S. Kanaya

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Structure of Pyrococcus abyssi Sm protein in complex with RNA, suggestions for eukaryotic Sm proteins

S. Thore, C. Mayer, C. Sauter and D. Suck

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Monomeric and dimeric crystal structures of an engineered monomeric triosephosphate isomerase

R. Arreola, E. Rudino-Pinera, G. Saab-Rincon, X. Soberon and E. Horjales

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Structure of a miniaturised hemoprotein by using the MAD technique on the cobalt-edge

S. Geremia, L. Di Costanzo, L. Randaccio, A. Lombardi, V. Pavone and M. Campagnolo

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Engineering green fluorescent protein to a redox switch

A. Henriksen, H. Oestergaard, F. G. Hansen and J. R. Winther

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Guest-host crosstalk in an angiogenin/RNase a chimeric protein

D. E. Holloway, R. Shapiro, M. C. Hares, D. D. Leonidas and K. R. Acharya

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Structure of the TATA-box binding protein from a thermophilic archaeon, Sulfolobus acidocaldarius

H. Koike, Y. Kawashima and M. Suzuki

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Crystal structure analyses of thermolysin in complex with its inhibitors

M. Senda, T. Senda, T. Ogi and S. Kidokoro

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Crystal engineering yields crystals of cyclophilin D diffracting to 1.5 Å resolution

R. Thoma, D. Schlatter, M. Stihle, E. Kueng, F. Mueller, E. Boroni and M. Hennig

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Is tRNA mimicry mandatory for translation factors?

A. Liljas, S. Hansson, O. Kristensen, M. Laurberg, D. Logan, S. Sanyal, M. Selmer and X.-D. Su

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Structural studies on translation initiation factor 4E

K. Tomoo, X. Shen, K. Okabe, Y. Nozoe, S. Fukuhara, S. Morino, T. Ishida, T. Taniguchi, M. Sasaki, Y. Katsuya, K. Kitamura, H. Miyoshi, M. Ishikawa and K. Miura

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The role of magnesium in the nucleotide binding process of Sulfolobus solfataricus elongation factor 1α

A. Zagari, L. Vitagliano, A. Ruggiero, M. Masullo and P. Arcari

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Investigation of possible free radical scavengers in protein cryocrystallography

J. W. Murray and E. F. Garman

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Sample heating at third generation synchrotrons: myth and reality

G. Rosenbaum and M. Kazmierczak

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Seeing the heat: studies of cryocrystallography using infrared imaging

E. H. Snell, R. A. Judge, M. Larson and M. J. van der Woerd

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The structure of C-terminal merozoite surface protein 1, a malaria vaccine candidate, in complex with a monoclonal antibody

G. A. Bentley, J. C. Pizarro, V. Chitarra, D. Verger, S. Longacre, I. Holm, F. Nato, S. Dartevelle and S. Petres

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Solvent content in the antigen-antibody interface as found in the lysozyme-HyHEL-5 complex

G. H. Cohen and D. R. Davies

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Caspase activator human granzyme B, crystal structure and implications in apoptosis

E. Estebanez-Perpina, P. Fuentes-Prior, D. Belorgey, K. Maskos, R. Kiefersauer, M. Braun, W. Bode, H. Rubin and R. Huber

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Structure of the active form of the catalytic region of the complement protease C1r

V. Harmat, J. Kardos, P. Gal, O. Barabas, L. Graf, G. Naray-Szabo and P. Zavodszky

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The mechanism of neutralization of influenza virus infectivity by antibodies

M. Knossow, T. Bizebard, B. Gigant, C. Barbey, A. Douglas, B. Barrere and J. J. Skehel

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N-glycosylation of the Fc-fragment of human IgG1 is crucial for its structural integrity and Fcg-receptor affinity

S. Krapp, Y. Mimura, R. Jefferis, R. Huber and P. Sondermann

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Studies of natural ligands of chemokine receptor CCR6

J. Lubkowski and D. M. Hoover

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Crystallographic studies of decay-accelerating factor (CD55)

P. Lukacik, J. Billington, A. Heinrich, K. Thurston, G. Smith, J. White, R. A. Smith and S. M. Lea

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Structural studies of antibodies implicated in Chagas disease

J. Pizarro, G. Boulot, J. Gregoire, M. Hontebeyrie and G. A. Bentley

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Structure of two new T cell receptors highlights the recognition of allogeneic MHC molecules

J.-B. Reiser, C. Darnault, C. Gregoire, T. Mosser, A. Guimezanes, A.-M. Schmitt-Verhults, J. C. Fontecilla-Camps, G. Mazza, B. Malissen and D. Housset

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High resolution native and ligand-bound structures of an active trimeric fragment of human SP-D

A. K. Shrive, H. A. Tharia, C. Martin, I. Burns, P. J. Rizkallah, U. Kishore, P. Strong, K. B. M. Reid and T. J. Greenhough

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Structural, kinetic and biochemical characterization of the oxidation states of human protein tyrosine phosphatase 1B: implications for redox regulation of phosphatase activity

C. Abad-Zapatero, T. Lubben, J. Severin, E. Hebert, T. Ahmed, R. Johnson, K. Stewart, C. Hutchins, T. Oie and R. Smith

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Structural studies of the Shank SAM domain

M. Baron and J. U. Bowie

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Structural basis of gating by the outer membrane transporter FecA

A. D. Ferguson, R. Chakraborty, B. S. Smith, L. Esser, D. van der Helm and J. Deisenhofer

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The structure analysis of human MRP14, a calcium-dependent regulator protein in inflammatory process

H. Itou, M. Yao, I. Fujita, N. Watanabe, M. Suzuki, J. Nishihira and I. Tanaka

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Crystal structures of NK1-heparin complexes reveal the basis for NK1 activity and enable engineering of potent agonists of the MET receptor

D. Lietha, D. Y. Chirgadze, M. Mulloy, T. L. Blundell and E. Gherardi

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Structural basis of the Rho effector recognition

R. Maesaki, K. Ihara, T. Shimizu, K. Okada, K. Kaibuchi and T. Hakoshima

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Crystal structure of C-terminal Src kinase

A. Ogawa, A. Nakagawa, M. Okada and T. Tsukihara

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Overexpression, purification and crystallisation of the central and DNA-binding domain of an NtrC homologue

L. Sallai, J. Hendle, M. Drummond and P. Tucker

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Structure of the fifth domain of receptor tyrosine kinase Tie2

H. Sugimoto, Y. Shiro and W. A. Hendrickson

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Structural basis of the radixin FERM domain complexed with its interactive proteins

S. Terawaki, R. Maesaki, K. Okada, K. Hamada and T. Hakoshima

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Crystal structure of the Epstein-Barr virus protease

W. P. Burmeister, M. Buisson, R. W. H. Ruigrok, J.-F. Hernandez, G. Arlaud, D. Lascoux, E. Forest and J.-M. Seigneurin

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Crystallograpic studies of the N terminal domain of the Bluetongue virus NS2 protein

C. Butan, H. Van Der Zandt and P. A. Tucker

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Assembly mechanism of a double-shelled virus, rice dwarf virus

N. Miyazaki, J. Taka, H. Naitou, A. Ogawa, A. Nakagawa, Z. Fujimoto, H. Mizuno, T. Higashi, Y. Watanabe, T. Omura, R. H. Cheng and T. Tsukihara

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Structural studies of a dual ligand binding SH3 domain in Pex13

A. Douangamath, F. Filipp, O. Mayans, C. Vega, P. Barnett, M. Sattler, B. Distel and M. Wilmanns

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Crystal structure of HAP3, a flagellar hook-filament junction protein and a junction model

K. Imada, H. Matsunami, M. Yamane, F. Samatey, S. Nagashima and K. Namba

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Crystal structure analysis of photosystem II from Synechococcus vulcanus at BL41XU of SPring-8

N. Kamiya and J.-R. Shen

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X-ray structure studies of H- and L-proteins of glycine cleavage system from Thermus thermophilus

T. Nakai, J. Ishijima, N. Nakagawa, R. Masui, S. Kuramitsu and N. Kamiya

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The crystal structure of the RC/LH1 complex from Rhodopseudomonas palustris

A. W. Roszak, T. D. Howard, J. Southall, A. T. Gardiner, N. W. Isaacs and R. J. Cogdell

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Atomic structure of a core fragment of hook protein, FlgE

F. A. Samatey, H. Matsunami, K. Imada, S. Nagashima and K. Namba

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Interfaces in lens crystallin structures

M. Smith, R. van Montfort, N. Clout, D. Srikanthan, A. Purkiss, O. Bateman, R. Stammler and C. Slingsby

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Crystallographic study of a sub-complex between E2o and E3 components of 2-oxoglutarate dehydrogenase complex

K. Suzuki, M. Tsunoda, W. Adachi, T. Sunami, M. S. Patel, Y. S. Hong, K. Koike, M. Koike, T. Sekiguchi and A. Takenaka

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IPR beamline (BL44XU) for macromolecular assemblies at SPring-8

E. Yamashita, M. Yamamoto, A. Nakagawa, S. Yoshikawa and T. Tsukihara

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Crystal structure of Hex1 reveals its mechanism of self-assembly and evolutionary origin

P. Yuan, G. Jedd, D. Kumaran, S. Swaminathan, N. H. Chua and K. Swaminathan

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Crystal structure of a ribosome inactivating viscumin from Indian viscumin album at 2.8 Å resolution

A. Bhushan, V. Mishra, A. K. Verma, S. Yadav, R. S. Sharma, C. R. Babu and T. P. Singh

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Structure analysis of human dihydrofolate reductase complexes with trimethoprim and epiroprim

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STI571 (IMATINIB): structural and enzymatic studies of interactions with ABL kinase and resistance mutants

S. W. Cowan-Jacob, G. Fendrich, V. Guez, J. Liebetanz, D. Fabbro and P. W. Manley

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Discovery of a new binding pocket of FKBP52-N and design of two novel neurotrophic ligands of FKBP12

Y. Ding, P. Li, B. Wu, F. Sun, L. Wang, C. Shu, S. Li, B. Shen and Z. Rao

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Crystal engineering yields crystals of cyclophilin D diffracting to 1.5 Å resolution: a sound basis for the support of drug discovery

M. Hennig, D. Schlatter, M. Stihle and R. Thoma

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The structure of an aldose-reductase inhibitor complex shows flexibility of the inhibitor's carboxylate as a function of pH

A. Mitschler, A. Cousido, F. Zink, M. Van Zandt, R. Cachau, I. Hazemann, R. Sanishvili, A. Joachimiak and A. Podjarny

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Development of X-ray powder diffraction for protein crystallography using synchrotron radiation

K. Miura, K. Kato, K. Inoue and T. Ueki

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Discovery of a sialic acid binding site in one of the lectin domains of Vibrio cholerae neuraminidase

I. M. Moustafa, M. A. Taylor, H. Connaris, V. Zaitsev and G. L. Taylor

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Influence of mutations of HIV-1 protease on binding of hydroxyethylenamine and ethylamine type inhibitors

H. Petrokova, J. Dohnalek, T. Skalova, J. Duskova and J. Hasek

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Real and virtual disorder in complexes of HIV protease

T. Skalova, J. Hasek, J. Dohnalek and H. Petrokova

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Crystal structure of porcine pancreatic elastase complex with novel peptidiyl trifluoromethyl ketone inhibitor of human neutrophil elastase

K. Suzuki, Y. Hiyama, I. Fujiwara, K. Tomoo and T. Ishida

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An X-ray crystallographic analysis of UDP-N-acetylglucosamine 1-carboxyvinyl transferase complexed with UDP-N-acetylglucosamine from Haemophilus influenzae

H. J. Yoon, M. J. Ku, S. H. Baek, H. W. Kim, S. K. Lee, S. J. Eom, K. Y. Kang and S. W. Suh

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Structure of mistletoe lectin I from Viscum album in complex with galactose, lactose and adenin

C. Betzel, R. Krauspenhaar, W. Rypniewski, N. Kalkura, K. Moore, L. Delucas, A. Mikhailov, St. Stoeva and W. Voelter

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The 1.8 Å resolution crystal structure of the S64C mutant dimer of flavodoxin from D. vulgaris bearing a Cys64-S-S-Cys64 engineered disulfide bridge

G. Bombieri, R. Artali, F. Meneghetti, G. Gilardi, S. J. Sadeghi, D. Cavazzini and G. L. Rossi

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Progress in the structural studies of the succinate-ubiquinone dehydrogrenase and the bc1 complex

D. Cobessi, L. S. Huang and E. A. Berry

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Insights into the structural mechanism behind complex formation between a snake venom metalloproteinase and its natural inhibitor by synchrotron small-angle X-ray solution scattering

H. Fischer, A. G. C. Neves-Ferreira, J. Perales, A. M. Moura-da-Silva, G. B. Domont, D. H. F. Souza, R. C. Garratt and A. F. Craievich

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Crystal structures of oxygenase and reductase modules of nitric oxide synthase: enzyme mechanism and regulation of electron transfer revealed

E. D. Garcin, S. J. Lloyd, A. S. Arvai, H. Tsuruta, A. Meade, D. J. Stuehr, J. A. Tainer and E. D. Getzoff

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Crystal structures of three lectins from the roots of pokeweed

Y. Hata, T. Fujii, M. Hayashida, Y. Aso and M. Ishiguro

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Lysosomal α-mannosidase

P. Heikinheimo, R. Helland, G. Schoehn, R. Ravelli, S. McSweeney, O.-K. Tollersrud and E. Hough

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Structure of rat BCKd kinase: a prototype for mitochondrial protein kinases

M. Machius, J. L. Chuang, R. M. Wynn, D. R. Tomchick and D. T. Chuang

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Structural and functional analyses of β-domains of UvrB and TRCF

N. Nakagawa, M. Suzuki, R. Masui and S. Kuramitsu

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The crystal structure of the carboxytransferase subunit of glutaconyl-CoA decarboxylase

K. S. Wendt, I. Schall, W. Buckel, R. Huber and U. Jacob

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Domain motion in the mechanism of guanine nucleotide exchange factors

J. Cherfils, L. Renault, P. Christova, B. Guibert and S. Sebastiano

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Phasing by maximal-minimal non-isomorphic sub-super-groups relationship in four-helix bundle designed protein

L. Di Costanzo, S. Geremia, L. Randaccio, W. F. DeGrado, A. Lombardi and V. Pavone

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Ramachandran plots of all 20 amino acids

S. Hovmoeller, T. Zhou and T. Ohlson

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A novel multi-heme structure of high molecular-weight cytochrome C from D. vulgaris Hildenborough

M. Sato, S. Nakazawa, K. Suto, N. Shibata, Y. Morimoto, Y. Higuchi and N. Yasuoka

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Crystal structure of p58/ERGIC-53, a protein involved in glycoprotein export from the endoplasmic reticulum

L. Velloso, K. Svensson, G. Schneider, R. F. Pettersson and Y. Lindqvist

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Structure analysis of the monomeric IDH using Mn-MAD method - dimer mimicry by a domain duplication

Y. Yasutake, S. Watanabe, M. Yao, Y. Takada, N. Fukunaga and I. Tanaka

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Structure of a human mitochondrial ferritin at 1.7 Å resolution

T. Granier, J. Chevalier, B. Langlois d'Estaintot, B. Gallois, G. Precigoux, B. Corsi, S. Levi, P. Arosio and J. Drysdale

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Crystallization and X-ray analysis of Mycobacterium tuberculosis HSP65

N. Adir, E. Dobrovetsky and Y. Kashi

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Structure of Clostridium absonum phospholipase C at 2.5 Å

D. C. Briggs, G. Clark, S. Nakamura, R. W. Titball and A. K. Basak

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Towards the structure determination of P30: an autotransporter domain

C. Fotinou, P. Blackburn, P. Emsley and N. W. Isaacs

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Structure of the von Willebrand factor A1 domain in complex with the snake toxin, botrocetin

K. Fukuda, T. A. Doggett, L. A. Bankston, M. A. Cruz, T. G. Diacovo and R. C. Liddington

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Crystal structure of human DJ-1, a spermatogenesis related protein

K. Honbou, N. Noda, M. Horiuchi, T. Taira, T. Niki, H. Ariga and F. Inagaki

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Structural studies of collagen X and collagen VIII NC1 domains

M. Kvansakul, O. Bogin, E. Rom, J. Singer, A. Yayon and E. Hohenester

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Crystal structure determination of a snake venom PLA2 protein (Mipla3)

S. Lok, R. Gao, P. Gopalakrishnakone and K. Swaminathan

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Structure of SET1, a superantigen like protein without superantigenic activity

C. E. Naylor, D. Briggs, A. K. Basak, D. S. Moss, B. Henderson and S. Nair

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Structural studies of a collagen binding fragment of Yersinia adhesin YadA

H. Nummelin, M. Merckel, Y. El Tahir, P. Ollikka, M. Skurnik and A. Goldman

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Crystal structure of β-cinnamomin, a toxic protein from Phytophthora cinnamomi

M. L. Rodrigues, M. Archer, P. Martel, A. Jacquet, A. Cravador and M. A. Carrondo

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Crystal structure of human autocrine motility factor

N. Tanaka, A. Haga, H. Uemura, H. Akiyama, T. Funasaka, H. Nagase, A. Raz and K. T. Nakamura

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Conformational dynamics of a myoglobin triple mutant observed by time-resolved Laue crystallography

D. Bourgeois, B. Vallone, A. Arcovito, A. E. Miele, G. Sciara, F. Schotte, M. Wulff, P. Anfinrud and M. Brunori

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X-ray snapshots of quinone cofactor biogenesis in bacterial copper amine oxidase

M. Kim, T. Okajima, S. Kishishita, M. Yoshimura, A. Kawamori, K. Tanizawa and H. Yamaguchi

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Structural genomics of Escherichia coli

M. Cygler, A. Matte, J. Sivaraman, Y. Li, F. Oullet, R. Larocque, G. Michel, S. Raymond, J. D. Schrag, V. Lunin, N. O'Toole, P. Iannuzzi and E. S. Rangarajan

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A system for the rapid and systematic characterization of protein crystals

A. Deacon, L. Brinen, P. Kuhn, S. McPhillips, T. McPhillips, M. Miller, H. van den Bedem, G. Wolf, J. Zhong and Z. Zhang

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Crystal structure of Saccharomyces cerevisiae homologous mitochondrial matrix factor 1 (Hmf1)

A. M. Deaconescu, A. Roll-Mecak, J. B. Bonanno, S. E. Gerchman, H. Kycia, F. W. Studier and S. K. Burley

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Antisense ORFs and codon bias in short chain oxido reductase enzymes and the evolution of the genetic code

W. Duax, A. Addlagatta, V. Pletnev and P. Yu

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Extension of home laboratory phasing capabilities using chromium radiation

J. D. Ferrara, C. Yang, J. W. Pflugrath and D. A. Courville

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Crystal structure of acyl-CoA dehydrogenase of Thermus thermophilus HB8

K. Hamada, H. Ago, M. Sugahara, K. Nishio, Y. Nodake and M. Miyano

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RIKEN structural genomics beamlines at SPring-8/development of sample auto-changing system

K. Ida, M. Yamamoto, T. Kumasaka, G. Ueno, H. Kanda, Y. Yokozawa, K. Sasaki and T. Ishikawa

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Structural analysis of Escherichia coli YodA, a protein of unknown function

A. Lewit-Bentley, G. David, M. Renouard and K. Blondeau

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Structure and function analysis of a family of cysteine-rich hypothetical proteins from the human pathogen Helicobacter pylori

P. R. E. Mittl, L. Luethy and M. G. Gruetter

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Automation of macromolecular data collection - integration of data collection and data processing

H. Powell, A. G. W. Leslie, G. Winter, C. Nave, E. M. H. Duke, S. H. Kinder, D. Love, S. McSweeney, O. Svensson, D. Spruce and S. Delageniere

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New hydra-plus-one system for speedy

B. W. Segelke, H. I. Krupka, A. Azarani, H.-U. Wu, D. Wright, P. Todd and B. Rupp

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A neural net approach to the automated analysis of crystallization trials

G. Spraggon, A. T. Kreusch, S. A. Lesley and J. P. Priestle

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Development of full automatic protein crystallization and observation system at SPring-8

M. Sugahara, K. Nishio, K. Kawamura, M. Nagashima, S. Yamai, K. Nonomura, S. Kuramitsu, S. Yokoyama and M. Miyano

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RIKEN structural genomics beamlines at SPring-8/operation system for high throughput data collection

G. Ueno, M. Yamamoto, T. Kumasaka, K. Ida, H. Kanda, S. Yasukawa, K. Sasaki and T. Ishikawa

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Structure determination of a novel protein of unknown function synthesized using a cell-free system

T. Wada, M. Shirouzu, T. Terada, T. Kigawa, S. Kuramitsu, S.-Y. Park, J. Tame and S. Yokoyama

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RIKEN structural genomics beamlines at SPring-8

M. Yamamoto, T. Kumasaka, G. Ueno, K. Ida, H. Kanda, M. Miyano and T. Ishikawa

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Crystal structure of the hexameric traffic ATPase of the Helicobacter pylori type IV secretion system: insights into function and mode of action

H.-J. Yeo, S. Savvides, E. Lanka and G. Waksman

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Atomic resolution structure of resting and intermediate states of nitric oxide reductase (cytochrome P450nor)

S. Adachi, H. Shimizu, S. Y. Park, D. S. Lee and Y. Shiro

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Atomic resolution structure of photoprotein obelin bound with different substrates: new aspects about function

L. Deng, E. S. Vysotski, B. R. Branchini, Z. J. Liu, J. Lee, J. Rose and B. C. Wang

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Crystal structure of poplar plastocyanin b

G. S. Kachalova, G. P. Bourenkov, H. D. Bartunik, M. I. Dimitrov, A. A. Donchev and A. Ch. Shosheva

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Ultrahigh resolution crystal structure of squid ganglion DFPase

J. Koepke, E. I. Scharff, C. Luecke and G. Fritzsch

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Desktop system for diffraction studies of protein crystals and macromolecules based on Kumakhov's optics

O. V. Mikhin, A. V. Priladyshev, S. V. Nikonov, S. N. Baidakov, D. Malagodi and S. Srinivasan

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The crystal structure of dissimilatory sulfite reductase D (DsrD) protein that has a DNA-binding motif

N. Mizuno, D. S. Hittel, G. Voordouw and Y. Higuchi

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N-Glycosylation at atomic resolution in the 1.12 Å structure of rhamnogalacturonan acetylesterase

A. Molgaard and S. Larsen

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Cholesterol esterase-detergent complex at 1.4 Å resolution

V. Z. Pletnev, A. Addlagatta, Z. Wawrzak and W. L. Duax

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High resolution (1.45 Å) structure of the complex between cryptogein and cholesterol

T. Prange, M. B. Lascombe, J. P. Blein, M. L. Milat and M. Ponchet

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Structure of C-phycocyanin from Spirulina platensis at 2.2 Å resolution

J. P. Zhang, X. Q. Wang, L. N. Li, W. R. Chang, L. L. Gui, B. J. Guo and D. C. Liang

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Neutron crystallographic study of human lysozyme

K. Chiba-Kamoshida, T. Matsui, A. Ostermann, T. Chatake, T. Ohhara, I. Tanaka, K. Yutani and N. Niimura

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Structural study of collagen model peptide, (Pro-Hyp-Gly)11 at high resolution

K. Okuyama, R. Fukushima, G. Wu, C. Hongo, K. Noguchi, Y. Tanaka and N. Nishino

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NF-kB regulation by IkB-α and IkB-β

D. Huang, G. Ghosh, T. Huxford and Y. Chen

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Compound active center of ribonuclease III: molecular basis for double-stranded RNA cleavage

X. Ji, J. Blaszczyk, J. E. Tropea, M. Bubunenko, K. M. Routzahn, D. S. Waugh and D. L. Court

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The structure of the binding site of acetylcholine receptor as visualized in the X-ray structure of a complex between α-bungarotoxin and a high affinity mimotope peptide

M. Harel, R. Kasher, A. Nicholas, J. M. Guss, A. B. Smit, K. Brejc, T. Sixma, E. Katchalski-Katzir, J. L. Sussman and S. Fuchs

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Structure of novel glycoprotein (BP-39) from goat mammary gland expressed during non-lactating period

A. Mohanty, G. Singh, M. Paramasivam, S. Sharma, S. Yadav, P. Kaur, A. Srinivasan and T. P. Singh

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Crystal structures of the stimulatory and inhibitory complexes of rat GTPCHI and GFRP

K. Okada, N. Maita, K. Hatakeyama and T. Hakoshima

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The first crystal structure of a halotolerant protein: carbonic anhydrase from D. salina at 1.86 Å resolution

L. Premkumar, H. M. Greenblatt, J. L. Sussman, U. Bageshwar, T. Savchenko, I. Gokhman and A. Zamir

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Structural studies of bacterial transcription initiation

D. G. Vassylyev, S. Sekine, O. Laptenko, J. Lee, M. N. Vassylyeva, S. Borukhov and S. Yokoyama

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Structure of alanine:glyoxylate aminotransferase

X. Zhang, M. S. Roe, Y. Hou, L. H. Pearl and C. J. Danpure

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High-resolution X-ray structure of a Mg²⁺ complex of 5′-GTP

R. Bau and K. K. Jin

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Mesomorphic phenanthroline: a novel architecture based on hydrogen welding and multiple π-π stacking

M. Cesario, R. Ziessel and T. Prange

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The first evidence of CH/π complex of de-tert-butylcalix[4]arene

X. B. Leng, H. G. Wang, X. S. Zeng and Z. Z. Zhang

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The self-assembled structures of 2,6-di(acylamino)pyridines

E. Marfo-Owusu and T. Kato

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Synthesis and structures of two homooxacalix[4]arenes

Y. Park and K. No

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Structure and dynamics of water channels inside self-assembling dipeptide nanotubes

P. Pattison, Y. Pan, G. Chapuis and H. Birkedal

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3-D hydrogen bonding network of 1,2-bis((pyridine-3-ylmethyl)ammonium)ethane diperchloride

R. Zou, L. Weng, X. Leng and X. Zeng

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Supramolecular self-assembly through different π-aryl interactions in two organotellurium compounds

J. Zukerman-Schpector, I. Caracelli and I. Haiduc

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Inclusion of paraben molecules in heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin

E. J. C. de Vries, M. R. Caira and L. R. Nassimbeni

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Phase transformations in t-butylcalix[4]arene inclusion compounds at elevated temperatures

G. D. Enright, E. B. Brouwer, P. A. Halchuk, K. J. Ooms, M. J. Ferguson, K. A. Udachin and J. A. Ripmeester

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The influence of intermolecular interactions on the syn/anti form of 2,4,6-trihydroxybenzoic acid - crystallographic studies

W. Jankowski, A. Kadzewski, M. Gdaniec and T. Polonski

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Tunable clathrates

T. le Roex, M. R. Caira and L. R. Nassimbeni

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Detection of alkali metal ions by fluorescent signalling crown ethers

J. F. Malone, A. Alves-Areias, A. P. deSilva and T. S. Moody

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Synthesis, configurational analysis and single-crystal structure of one azacrownlactame derived from biphenyl

L. E. Ochando, A. M. Costero, F. J. Tamarit, M. J. Aurell and M. J. Banuls

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Calix[4]arene lower rim ionic interaction and the formation of intra-molecular complexes

O. E. Piro, E. E. Castellano and A. F. Danil de Namor

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Comparison of crystal structures of inclusion complexes of deoxycholic acid and those of apocholic acid

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Self-assembled calix[6]pyrrole capsules

K. Suwinska, B. Turner, A. Shterenberg, M. Kapon and Y. Eichen

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Complexes of 1,3-alternate calix[4]arenes with silver cation

J. Sykora, J. Budka, P. Lhotak, I. Stibor and I. Cisarova

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The molecular structure of amphoteric theophylline

P. Bombicz, J. Madarász, M. Czugler and A. Kálmán

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Assembly of tetrahedral clusters of 12 octahedral metal ions and 18 bis-bidentate bridging ligands

Z. R. Bell, J. C. Jeffery, M. D. Ward and J. A. McCleverty

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Pre-organization and allosterism in complexes of Cd(II) and Pb(II) with calix[4]arene derivatives

E. E. Castellano, O. E. Piro and A. F. Danil de Namor

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Layer assembly in alkaline-earth derivatives of unsaturated dicarboxylic acids

G. Diaz de Delgado, A. Briceno and T. Gonzalez

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Supramolecular structures of four-coordinate nickel bis(triphenylphosphine) nitrosyl complexes

A. Kiatphichitpong and K. J. Haller

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Physical stability versus chemical lability in microporous metal coordination polymers: case of [Cu(OH)(INA)] and [Cu(INA)₂]

S.M.-F. Lo, C.Z.-J. Lin, S.S.-Y. Chui, F.L.-Y. Shek, I. D. Williams, K. Suwinska and J. Lipkowski

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Solid-state transformations in coordination polymers influenced by the loss or addition of water molecules

A. Neels and H. Stoeckli-Evans

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Supramolecular arrangement in dimethyl thallium complexes through Tl...S

S. Santos Jr, E. E. Castellano, J. Ellena, M. Toma, J. S. Casas, M. S. Garcia-Tasende, A. Sanchez and J. Sordo

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Supramolecular structure of 1,10-phenanthrolin-1-ium cation with a tin(IV) anion

W. Somphon, K. J. Haller and S. W. Ng

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Crystal structure and magnetic properties of a novel three-dimensional Cu(II) azido coordination polymer

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The two stranded helical silver(I) polymers with 1,4-bis(2-pyridoxy)benzene

L. Weng, R. Zou, X. Leng and X. Zeng

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Structure comparison of the phosphazenes [Cl_4−nP(NPCl₃)_n][PCl₆] (n = 1-4)

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The novel octathallium-selenoborato-closo-dodecaborate

M. Doch, A. Lindemann, A. Hammerschmidt and B. Krebs

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Hydrothermal synthesis and single-crystal structure of barium vanadium selenite hydrate Ba(VO₂)₂(SeO₃)₂.H₂O

F. J. Lincoln, K. L. Kilminster, B. W. Skelton and A. H. White

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Synthetic layer compounds of Se(IV) and Te(IV) oxohalogenides

K. W. Toernroos and M. Johnsson

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Synthesis and structural characterization of nitrogen containing high energy density materials

A. Vij, K. O. Christe, V. Vij, W. W. Wilson, R. Haiges, M. Gerken, X. Zhang and F. S. Tham

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Crystallography of enolate formation and reactions

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Structural studies of the boron coordination compound with thiourea

I. Zviedre, V. Belsky, V. Zavodnik and J. Schwartz

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Structural and spectroscopic motifs of artificial di-iron sub-sites of all-iron hydrogenase

S. C. Davies, J. E. Barclay, S. P. Best, S. Borg, D. J. Evans, S. J. George, D. L. Hughes, A. Le Cloirec, M. Razavet and C. J. Pickett

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Biologically active copper(II) and platinum(IV) complexes with cytokinin-derived compounds

M. Malon, Z. Travnicek and J. Marek

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Derivatives of substituted 3-trichlorogermyl propionic acid

M. Parvez, K. Hans, S. Ali and M. Mazhar

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Crystal structure of cobalt-based chain molecular magnet CoCu(opba)(DMSO)₃ at room temperature and 100 K

A. C. Doriguetto, Y. P. Mascarenhas, J. Ellena, C. L. M. Pereira, E. E. Castellano, N. G. Fernandes, H. O. Stumpf, L. C. Meira-Bello and U. A. Leitao

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Characterisation of the Mn(hapto(2)-SiH) interaction by analysis of experimental and theoretical charge densities

G. Eickerling, M. Tafipolsky, W. Scherer, G. S. McGrady and N. P. Chatterton

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Electron delocalization in acyclic and N-heterocyclic carbenes and their complexes: a combined experimental and theoretical charge density study

M. A. Tafipolsky, W. Scherer, K. Öfele and W. A. Herrmann

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Structural, magnetic and supramolecular properties of anionic metal dicyanamide polymers

P. van der Werff, S. R. Batten, P. Jensen, B. Moubaraki and K. S. Murray

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Synthesis, structure and magnetism of manganese amidinate clusters

L. Wittick, K. Murray, L. Spiccia, S. Batten, B. Moubaraki and D. Price

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Thermal vibration analysis of two organic phosphates. Comparison with far-IR spectra

E. Molins, I. Mata, E. Espinosa and A. Cousson

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Non-analyticity of diffuse-scattering intensity for small wave vectors in reciprocal space of solid solutions

T. Radchenko and V. A. Tatarenko

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Anharmonic refinement of γ-type bimevoxes

P. Roussel, R. N. Vannier, M. Anne, G. Nowogrocki and G. Mairesse

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Anharmonic vibration study of potential barriers in the trivalent Al³⁺ ion conductor Al₂(WO₄)₃

N. Imanaka, K. Tanaka, S. Tamura and G. Adachi

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Hydrogen bonds: further evidence for the cause of the color change of nitrosylpentaamminechromium complexes

H. Akashi, T. Yamauchi, M. Mori and T. Shibahara

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Influence of crystalline structure and surface treatment of TiO₂ particles on their interaction with polar organic molecules

T. V. Bezrodna, G. O. Puchkovska, V. V. Shimanovska, T. A. Gavrilko and V. I. Berko

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Changes in the state of aggregation of the Pfk-2 enzyme induced by MgATP

R. M. Cabrera, H. Fischer, S. Trapani, A. F. Craievich, V. Guixe, J. Babul and R. C. Garratt

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A crystallisation/crystal engineering approach to aid salt selection - anions

E. A. Collier, R. J. Davey, R. J. Roberts and S. N. Black

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Racemic and enantiomeric 2-hydroxy-2-methylbutanedioic acid

A. Egebjerg and S. Larsen

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The 'halogen bond' I...O, I...N, Br...N as a temperature function

A. Forni and T. Pilati

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Synthesis and crystal structure of the complex of aza bridged indium(III) phthalocyanine and 4-methylpyridine

R. Kubiak and A. Waskowska

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π-π Interactions of magnesiumphthalocyanine as evaluated by energy partition analysis

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Rotational disorder of fullerenes: analysis of structural data

I. S. Neretin, Y. L. Slovokhotov, Y. Kubozono and S. Kashino

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Charge density analysis and comparison of the intermolecular interactions in racemic and optically active p-fluoromandelic acids

H. O. Sorensen and S. Larsen

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Molecular interactions in the structures of ethyl 5-amino-4,6-dicyano-[1,1]biphenyl-3-carboxylate methyl derivatives

K. Stadnicka and P. Milart

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Structures of dirhodium bis(μ-guanidinate) derivatives

R. A. Baber and A. G. Orpen

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Metal ion coordination: towards a database for protein crystallographers

J. P. Glusker, A. K. Katz, P. George and C. W. Bock

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Structural studies of bis(phospholane) complexes

K. M. Heslop and A. G. Orpen

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Is the trans effect an applicable concept in di- and polynuclear metal complexes?

F. J. Lahoz, S. E. Ruiz, J. A. Lopez, M. V. Jimenez, E. Sola and L. A. Oro

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On the polymorph-sensitive chemical reactivity of diazines

A. Katrusiak and A. Katrusiak

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Crystal structures and photoconductivity of charge generation materials

Y. Kojima, C. Sasaki, T. Shoda and T. Ohashi

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Observation of photo-excited structure of a platinum complex anion

N. Yasuda, M. Kanazawa, H. Uekusa and Y. Ohashi

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Local structure and dynamics of protons in letovicite: an NMR spectroscopic study

A. Engelhardt, M. Fechtelkord, J.-C. Buhl, L. Schwalowsky and U. Bismayer

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Hydration in molecular crystals

A. L. Gillon, R. J. Davey, N. Feeder and R. Storey

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Stacking alternatives generated by the effect of antidromic rings in close packing patterns

A. Kalman, Gy. Argay, L. Fabian, G. Bernath and Zs. Gyarmati

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Patterns in saturated hydrogen bonding (SHB)

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Molecular self-assembling of nitro derivatives of 2-oxo-1-naphthaldimine via C-H...O intermolecular hydrogen bonds

G. Pavlovic, Z. Popovic, V. Roje and I. Leban

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Hydrogen bonded molecular assemblies in crystals and gels of chiral bis(amino alcohol) oxalamides

Z. Stefanic, M. Jokic, J. Makarevic, M. Zinic and B. Kojic-Prodic

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Synthesis, properties and structure of niobium-doped potassium titanil phosphate crystals

O. Alekseeva, N. Sorokina, T. Losevskaya, V. Yanovskii, V. Voronkova and V. Simonov

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Synthesis and crystal structures of new molecular conductors with metal-complex anions

O. A. Dyachenko, A. D. Dubrovskii, A. A. Bardin, N. G. Spitsina, A. I. Kotov and E. B. Yagubskii

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The synthesis, structural peculiarities of perovskite-like strontium cuprates based on B, Al, Ga, In, Cr, Pb, Mn, W, Mo and Hg

Y. V. Esaulova, G. M. Kuz'micheva, E. P. Khlybov, I. E. Kostyleva and A. S. Andreenko

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X-ray diffraction from α quartz crystals under electric fields

R. Guillot, P. Alle, P. Fertey, N. K. Hansen and E. Elkaim

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Rare-earth elements in molecular conductors, crystal and electronic structures

O. N. Kazheva, E. Canadell, N. D. Kushch and O. A. Dyachenko

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Influence of rare earth elements on the structure and properties of the perovskite-like phases in Ru-Sr-Ln(Ce)-Cu-O system

G. M. Kuzmicheva, I. E. Kostyleva, E. P. Khlybov and A. S. Andreenko

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Crystallographic aspect of spinal oxide M₃O₄ formed during atomisation of stainless steel type of 310

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Modulated structure and superconducting micromechanism in YBCO compounds

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Investigation on the structural differences among langasites by single-crystal X-ray structure analysis

H. Ohsato, T. Iwataki, N. Araki and H. Morikoshi

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Angular group induced bond alternation (AGIBA) observed in aromatic azine derivatives

E. Pindelska, T. M. Krygowski, R. Anulewicz-Ostrowska and J. Nowacki

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Structure evolution of Al-10.4 at.% Li alloy deformed at room and low temperatures

V. V. Pustovalov, T. V. Grigorova, N. V. Isaev, I. S. Braude and V. S. Fomenko

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Synthesis, NMR-, IR-spectral and structural study of a new 2-thione- and 2-cyanoiminepyrimidine derivatives

V. B. Rybakov, V. V. Chernyshev, L. A. Aslanov, A. D. Shutalev, E. M. Evstigneeva, V. A. Trounov, A. I. Kurbakov and M. V. Filatov

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Hydrogen bonding patterns in phenolic pyridin-2-yl-methylhydrazones

C. H. Schwalbe, U. Sandbhor, D. L. Rathbone, D. C. Billington and S. Padhye

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Redetermination of the room temperature structure of BaCuSi₂O₆

K. M. Sparta, G. Roth, G. Heger, T. Masuda and K. Uchinokura

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Structural studies of phenanthroline N-oxides. The problem of aromaticity and stability

B. T. Stepien, M. K. Cyranski, T. M. Krygowski, J. Mlochowski, P. Orioli and F. Abbate

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Crystal structure, magnetic properties and hybrid DF/HF calculations of nitronyl nitroxide radicals

A. Zakrassov, V. Shteiman, M. Botoshansky, M. Kapon, M. Kaftory and J. S. Miller

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Water clusters in organic molecular crystals in the CSD

L. Infantes and S. Motherwell

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Dendrimers with niobium imido complexes. Mononuclear models

M. P. Gomez-Sal, J. M. Benito, E. de Jesus, F. J. de la Mata, J. C. Flores and R. Gomez

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Synthetic studies of hydrogen bonding in crystal structures of metal chloride complexes

A. Angeloni and A. G. Orpen

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Space correction of frequency distribution for X-H...π interaction (X = O, N, C) for six-membered aromatic and chelate rings

G. A. Bogdanovic and A. Spasojevic-de Bire

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Crystal structure synthesis of hydrogen-bonded metallate salts

P. Crawford, T. J. Podesta and A. G. Orpen

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Design and calculation of hydrogen-bonding patterns in acetylhydrazones

A. Degen, O. Soentgen and E. Egert

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Crystal engineering of 3-D supramolecular networks with metalloporphyrins

Y. Diskin-Posner, G. K. Patra and I. Goldberg

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Disordering patterns of guest species in organic zeolites

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Synthesis and use of poly-pyridyl tectons in crystal engineering

T. Podesta and A. G. Orpen

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Interactions involving fluorine: inputs to drug polymorphism

A. Ray Chaudhuri, U. K. Urs, K. Nagarajan and T. N. Guru Row

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Isostructural ions in crystal engineering

B. D. Salt and A. G. Orpen

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Structural relations in the adelite- and descloizite-structure type

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Structural study of a graphite-lithium-calcium intercalation compound

P. Lagrange, S. Pruvost, C. Herold, J. F. Mareche and A. Herold

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The displacive phase transformation in the binary system Sn-Sb

M. Ellner and E. J. Mittemeijer

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Ab initio investigations of β-Ba(OH)₂ and its high pressure phase β-II-Ba(OH)₂

U. Hantsch, M. Hytha, A. Friedrich, B. Winkler and V. Milman

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Origin of negative thermal expansion in cubic ZrW₂O₈, ZrMo₂O₈ and HfW₂O₈: high pressure inelastic neutron scattering study

R. Mittal, S. L. Chaplot, H. Schober, T. A. Mary and A. P. Wilkinson

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Crystallization behavior of CoSb₃ thin films

B. Schuepp, V. Sauchuk, J. Schumann and N. Mattern

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X-ray diffraction evidence of some Lifshitz transitions

S. K. Sikka, V. Vijayakumar, R. S. Rao and B. K. Godwal

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Structure and high-pressure transition of MgXO₃ (X=Si, Ge, Ti) ilmenite under pressures up to 30GPa

T. Yamanaka, T. Nagai, Y. Komatasu and T. Watanuki

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Crystal structure of the first copper-silver arsenide, kutinaite (Cu₁₄Ag₆As₇)

T. Balic-Zunic, Lj. Karanovic, D. Poleti, E. Makovicky and M. Makovicky

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Influence of fluorine content on the composition of Al-rich synthetic phlogopite investigated by solid state NMR

M. Fechtelkord, H. Behrens, J. L. Bretherton, C. A. Fyfe, L. A. Groat, F. Holtz and M. Raudsepp

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Mixed complexes in the structures of Zr-phosphates and silicates

E. R. Gobetchia, Yu. K. Kabalov and D. Yu. Pushcharovsky

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Quartz twins with inclined axes

H. Grimmer and K. Kunze

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Crystal structure of Tl₆Ag_2.2Cu_6.8As₉S₂₁

E. Makovicky, T. Balic-Zunic, L. Karanovic, D. Poleti and D. Topa

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Crystal-chemical features of four new members of labuntsovite group

K. A. Rozenberg and R. K. Rastvetaeva

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3T-trioctahedral-micas, coexisting-polytypes, cation-ordering

F. Scordari, E. Schingaro, G. Ventruti and A. Rinaldi

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Location of both calcium and sodium cations in dehydrated 5A zeolites an anomalous diffraction study

C. Pichon, H. Paoli, T. Bataille, M. Gailhanou, B. Rebours and J. Lynch

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Synthesis and structure of CaSiN₂

F. Ottinger and R. Nesper

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Crystal and magnetic structures of layered Sr₂MnGaO_5+x oxides

A. M. Balagurov, V. Yu. Pomjakushin, A. M. Abakumov, E. V. Antipov, M. V. Lobanov, P. Fischer and D. V. Sheptyakov

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Observation of dynamic local layer response of smectic liquid crystals by X-ray micro-diffraction

A. Iida, Y. Takahashi, Y. Takanishi, M. Nakata, K. Ishikawa and H. Takezoe

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Determination of phases and phase transitions in liquid crystals

A. K. Schaper, Z. Zhao, W. Ruland and B. Albert

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A structural study on the polymorphism of docosane-1,22-diol

K. Uno, N. Nakamura and Y. Ogawa

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Crystal structure of Ge-doped rubidium titanyl phosphate

J. Gustafsson, G. Svensson and J. Albertsson

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Structures of LiCaAlF₆ and LiSrAlF₆ at 120 and 300 K by synchrotron X-ray single crystal diffraction

S. Kuze, D. J. du Boulay, N. Ishizawa and N. Kodama

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Structure refinement of a near-stoichiometric lithium tantalate

M. Okui, N. Iyi, K. Kitamura, S. Takekawa and S. Fukushima

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Diffuse magnetic scattering above T_c in quasi-2D La_1.2Sr_1.8Mn₂O₇

T. Chatterji, R. Schneider, J. Hoffmann, D. Hohlwein, R. Suryanarayanan, G. Dhalenne and A. Revcolevschi

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Phase transitions in SrLaCuRuO₆ and SrLaNiRuO₆ double perovskites

M. Gateshki and J. M. Igartua

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Charge ordering that only succeeds after nature's second attempt

P. Karen, P. M. Woodward and J. Linden

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Structure model of atoms behaviour of PbMg_1/3Nb_2/3O₃ and PbZn_1/3Nb_2/3O₃ in ferroelectric relaxor phase

A. R. Lebedinskaya and M. F. Kupriyanov

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Synthesis of Sr₂MnSbO₆, Sr₂MnNbO₆, Ca₂MnSbO₆, Ca₂MnNbO₆ and Ca₂MnRuO₆: investigation of the chemistry and crystallography using the software program SPuDS

M. W. Lufaso and P. M. Woodward

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Structural and electrochemical properties of oxysulfide LiAl_0.24Mn_1.76O_3.98S_0.02 spinel materials

H. M. Park, Y. K. Cho, H. J. Lee and Y. K. Sun

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Zigzag charge ordering structure of the quarter-filled ladder compound NaV₂O₅

H. Sawa, E. Ninomiya, T. Ohama, H. Nakao, K. Ohwada, Y. Murakami, Y. Fujii, Y. Noda, M. Isobe and Y. Ueda

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Evidence of intermediate spin state of Co³⁺ and Co⁴⁺ ions in LaBaCo₂O₆

E. Suard, F. Fauth and V. Caignaert

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Structural phase transitions in CsInF₄

A. L. Thompson, A. E. Goeta, C. C. Wilson, A. Ayala, C. W. A. Paschoal, I. Guedes and J.-Y. Gesland

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X-ray powder diffraction studies of phase transition and oxygen non-stoichiometry of (La,Mn)-doped PbTiO₃

L. T. C. Tuong, P. V. Phuc and P. G. Ngu

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Crystal and magnetic structure of TbBaMn₂O₆

A. J. Williams and J. P. Attfield

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Investigation of the structure and phases in perovskite-type lead magnesium niobate titanate (PMN-PT)

D. Zekria and A. M. Glazer

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New langbeinite phosphates, K₂MTi(PO₄)₃ (M = Er, Yb or Y)

S. T. Norberg, G. Svensson and J. Albertsson

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Application of Rietveld method to XRD and SAED pattern of nanocrystalline TiO₂ samples

I. Djerdj, A. M. Tonejc and A. Tonejc

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Electron density distribution in magnesium-stabilised cubic lithium manganate spinel

N. Ishizawa, D. J. du Boulay, Y. Matsushima, Y. Tabira, J. R. Hester, H. Ikuta and M. Wakihara

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Correlation between thermal vibration and conductivity in La_0.9Sr_0.1B_0.9Mg_0.9O₃, B = Al, Ga, and Sc

D. Lybye and K. Nielsen

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Crystal structure of Bi₂PbMnO₄(PO₄)₂, a new solid solution series in the Bi-Pb-Mn-P oxide system

H. Steinfink, M. Huve, P. Roussel and O. Perez

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The effect of sulphur substituted partially for selenium on the structural and microstructural properties of S-Se_x system

K. El Sayed, Z. K. Heiba and M. B. El-Den

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Crystal structures of new indium phosphate materials

R. W. Broach, R. L. Bedard, L. M. King and R. M. Kirchner

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X-ray powder structure of a novel layered tin(IV) phosphate, Sn(HPO₄)₂^.(NH₃)_0.4(H₂O)_0.6

S. Garcia-Granda, P. Pertierra, M. A. Salvado, L. Roces, A. Khainakov and J. R. Garcia

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High lithium-ion cyclability in a novel nanoporous hybrid-channel host

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Crystal structure of a new zinc gallophosphate with an open-framework

M. Mrak, U. Kolitsch, V. Kaucic and E. Tillmanns

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Structure of a novel nanoporous crystal of Rb₃Ta₅O₁₄ and characterisation of related Rb-Ta-O and Cs-Ta-O compounds

A. Oono, D. J. du Boulay, N. Ishizawa and S. Oishi

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Powder diffraction study of Fe and Ga silicalites

D. Viterbo, M. Milanesio, L. Palin, C. Lamberti, G. Marra, R. Aiello and F. Testa

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Structural parameters of zeolitic catalysts (faujasite NaX and NaY) with chemisorbed methyl groups by neutron diffraction and ¹³C MAS NMR

S. Vratislav, M. Dlouha and V. Bosacek

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A new open-framework aluminophosphate-oxalate

N. Zabukovec Logar, N. Rajic, A. Golobic and V. Kaucic

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The design of ligands for metal surface engineering

J. E. Davidson, A. Parkin, S. Parsons, P. A. Tasker and S. G. Harris

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Twin boundaries: compatibility, twin-displacement vector, coherency

T. Hahn, H. Klapper and V. Janovec

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Surface X-ray diffraction study of Cu UPD on Au(111) electrode in 0.5M H₂SO₄ solution

M. Ito, M. Nakamura, Y. Yoda, O. Sakata and T. Takahashi

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Surface glass transition of polystyrene by X-ray reflectivity measurements

A. Kitahara, H. Kikkawa and I. Takahashi

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Kinematical X-ray scattering theory of self-assembled quantum dot arrays and superlattices

J.-E. Paultre, P. Desjardins and R. A. Masut

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Structural characterization of diglycol carbonate and polycarbonate solid state nuclear track detectors irradiated with infrared laser pulses

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Structural properties of interfaces in AlInAs/GaAs superlattices

Z. Sourek, J. Kub and E. Hulicius

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Application of powder diffraction methods to the analysis of the atomic structure of nanocrystals: the concept of the apparent lattice parameter (alp)

S. Stelmakh, B. Palosz, S. Gierlotka, R. Pielaszek, E. Grzanka, U. Bismayer, H.-P. Weber and W. Palosz

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Study of Si_1−xGe_x/Si-MBE growth process by using an in-situ ellipsometric measurement

H. Hayashi, S. Kamei, T. Kohsaki, T. Shimura and M. Umeno

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Structure and thermal stability of ultra-thin diffusion barriers for copper metallization

R. Huebner and K. Wetzig

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Crystallization of sol-gel-derived strontium-bismuth-tantalate thin films on silicon substrates

A. Kohno, H. Sakamoto, F. Ishitsu and K. Matuo

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Raman studies of amorphous and microcrystalline phases of silicon films produced by PECVD

V. G. Gayou, M. R. Rojas, R. E. Perez, A. T. Torres, H. N. Navarro, E. R. Rosendo and J. O. Olvera

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Structural characterization of Ag and Mo-doped Fe-Pt thin film prepared by radio frequency sputtering

V. Nguyen, T. Le and P. Phan

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Metastable phase formation and subsequent thermally stimulated relaxation of co-deposited Fe-Cr nanometer films

P. Paufler, A. A. Levin, D. C. Meyer, A. Gorbunov, A. Tselev and W. Pompe

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Growth and structural characterization of tellurium doped GaInAsSb quaternary alloys

J. O. Olvera, M. R. Rojas, E. R. Rosendo, T. D. Díaz, M. A. Vidal, H. N. Navarro and F. de A. de Anda

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Atomic structure of the buried oxide layer in SIMOX wafers

T. Shimura, T. Hosoi, K. Fukuda and M. Umeno

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Crystallochemical model of alternative substrates for epitaxial growth of GaN thin films

E. A. Volkova and N. I. Leonyuk

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The interference patterns in AIIIBV implanted with hydrogen

K. Wieteska, W. K. Wierzchowski, W. Graeff and G. Gawlik

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X-ray magnetic circular dichroism for transparent cobalt-doped anatase thin film

S. Sasaki, N. Shimizu, T. Hanashima, K. Yamawaki, H. Udagawa, N. Kawamura, M. Suzuki, H. Maruyama, Y. Matsumoto and H. Koinuma

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Charge density and topological analyses of a high and a low spin iron(III) complexes

J. J. Lee, J. A. K. Howard and Y. Wang

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Segmentation and electronic properties of four dipeptides - a comparison

B. Dittrich, J. McKinnon, M. Spackman and P. Luger

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Charge density studies of the nickel(II) complex of the Schiff base of (S)-N-benzylproline (2-benzoylphenyl)amide and glycine

M. Fronc, J. Kozisek, A. Popkov, H. Fuess and C. Paulmann

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On the ionic Vs neutral nature of metal guests in the thermoelectric clathrate materials

C. Gatti, L. Bertini, B. B. Iversen and N. P. Blake

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Charge density distribution and X-ray absorption spectroscopy of iron-nitro thiolate complexes

I. Hsu, C. Hsieh, C. Chen, W. Liaw and Y. Wang

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Charge density and topological properties of larger molecules of biological interest

P. Luger, A. Bach, B. Dittrich, M. Messerschmidt and A. Wagner

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Deconvolution of thermal motion in crystalline naphthalene

J. Oddershede and S. Larsen

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Topological analysis of electron densities given on regular 3D grids

P. Rabiller, C. Katan, M. Souhassou, C. Lecomte, M. Guezo and V. Oison

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Topological analysis of 2,4,6,8-tetraphenylbarbaralane based on a synchrotron/CCD area detector experiment at 110 K

S. Scheins, B. Dittrich, C. Paulmann, H. Quast and P. Luger

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Electron delocalization in lithium alkyls: negative hyperconjugation and agostic bonding

P. Sirsch, W. Scherer, M. Gardiner, S. A. Mason and G. S. McGrady

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Charge density of a fullerene derivative based on a high resolution synchrotron radiation experiment

A. Wagner, R. Flaig, D. Zobel, B. Dittrich, H. G. Krane, T. Koritsanszky and P. Luger

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Topological analysis and bond characterization of KNiF₃ and K₂NiF₄

Y. Wang, L. Chen, H. S. Sheu, I. J. Hsu and J. J. Lee

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Charge density distribution in 2-methyl-1,3-cyclopentanedione

T. Borowiak, M. Kubicki, G. Dutkiewicz, C. Jelsch and C. Lecomte

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Electron density distributions of hypervalent bonds in pentacoordinate boron and carbon compounds

D. Hashizume, M. Harakawa, M. Yasui, F. Iwasaki, Y. Yamamoto and K. Akiba

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The electron density distribution in paramagnetic and antiferromagnetic MnO: a γ-ray diffraction study

W. Jauch and M. Reehuis

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Charge density studies of [Cu(bite)](BF₄)

J. Kozisek, M. Fronc, M. Breza, G. Wu, B. Rodrigues, P. Coppens, H. Fuess and C. Paulmann

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Experimental charge density analysis on modified coumarins: topological properties

P. Munshi and T. N. Guru Row

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Atomic interactions in energetic materials: NTO, (BIGH)(DN) and (BIGH2)(DN)₂

E. A. Zhurova, V. G. Tsirelson, A. I. Stash, M. V. Yakovlev and A. A. Pinkerton

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The Wiener-Khinchine theorem for X-ray radiation

J. Gronkowski and J. Borowski

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Effects of multiple-wave interaction on X-ray fluorescence: a synchrotron experiment

Y. R. Lee, G. G. Lin, Y. P. Stetsko, S. Y. Cheng, C. C. Kuo, Y. R. Jou and S.-L. Chang

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Phenomenological understanding of the Pendellösung beats and proposal of its confirmative experiment of disappearance of the beats at low temperature

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Theory of the X-rays backscattering by the curved crystals. Multi-wave diffraction

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Refraction in a self-consistent model of X-ray scattering

D. S. de Vasconcelos and W. A. Keller

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Absorption in a self-consistent model of X-ray scattering

W. A. Keller and D. S. de Vasconcelos

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Determination of the β-quartz cell parameters using NMD azimuthal angular differences

L. C. Campos, C. B. Ramos Parente, V. L. Mazzocchi and O. Helene

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X-ray and neutron diffraction studies of the dinosaur and modern animal bones from the Gobi desert, Mongolia

D. Sangaa, A. Balagurov, G. Batdemberel, D. Chultem, H. Fuess and D. Toebbens

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Neutron powder diffraction study of the mixed-valence manganites

M. Dlouha, S. Vratislav and Z. Jirak

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Study of the contrast induced by ultra-acoustic waves in piezoelectric devices in stroboscopic X-ray section topographs

Y. Epelboin, B. Capelle and J. Détaint

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Growth morphology of single crystals during solidification of Ga-Mg-Zn alloy

M. Surowiec and P. Jelen

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Growth of solid solution crystals (Pb, Sn)Te and (Pb, Ge)Te doped with Ga and In

L. V. Yashina and V. I. Shtanov

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Thin film growth from vapors by effusive ampoule physical vapor transport

M. Ittu Zugrav and W. E. Carswell

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Hydride vapor phase epitaxy of GaN thick films and observation of defect structures

S. M. Lee, B. H. Kim and S. J. Chung

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Epitaxial cobalt silicide formation using a Co/TiSi_x bilayer on (100)Si

C. M. Lee, J. J. Jeong and J. M. Lim

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Arsenic coverage on GaAs substrates using RHEED during MBE growth under high arsenic vapor pressures

T. Ohachi, S. Kohda and J. T. Nelson

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Study on Raman spectra of the inclusions in KDP crystals

S. Wang, Z. Gao, Y. Kong, C. Zhang, Y. Fu, X. Sun, Y. Li and H. Zeng

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Structural modifications of ZrO₂

E. Iarotskaia, E. Polianski and V. Iarotski

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The twinned crystal structure of V(NEt₂)₄

A. Dawson, S. Parsons and C. R. Pulham

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Order-disorder transformations in Al-Ni-Co decagonal quasicrystals

H. Abe, H. Saitoh, Y. Matsuo, H. Nakao and K. Ohshima

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Rietveld analysis of phases in heat-resistant steels

J. L. Garin and R. L. Mannheim

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X-ray quasi-forbidden reflections study of Be-doped GaAs crystals

G. Kowalski, I. Frymark, M. Kaminska and A. Krotkus

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Microstructural characterization of stress-induced martensites evoluted at low temperature in deformed powders of Fe-Mn-C alloys by Rietveld method

P. Sahu, M. De and S. Kajiwara

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Chances and challenges of rock texture investigations by neutron diffraction

W. Schaefer, E. Jansen, A. Kirfel, W. Kurz and N. Froitzheim

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Are the solid solutions of Ni-Au and Pt-Rh short-range ordered or decomposed?

B. Schoenfeld, M. J. Portmann, Ch. Steiner, G. Kostorz and F. Altorfer

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An atomic force microscopy study of surface structures of colloidal β-FeOOH crystals forming smectic layers and crystal size evaluation with electron microscope

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Structures of the initial adsorbed layers of stearic acid at liquid/solid interface

T. Nemoto, D. Takajo and S. Isoda

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Morphological patterns in polystyrene/polyisoprene blend films cast onto hydrophobic and hydrophilic substrates

J. Raczkowska, J. Lekki, J. Rysz, A. Budkowski and M. Lekka

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Photoluminescent properties of the natural and synthetic coloured diamonds

M. A. Viktorov, Y. L. Lantsev and G. K. Chachatryan-Blinova

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In situ structural study of ceramic materials by high-temperature neutron and high-resolution synchrotron X-ray powder diffraction techniques

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High temperature polymorphism of Pr metal: possible disordered polytype structure

A. Yu. Kuznetsov, V. Dmitriev, O. Bandilet and H.-P. Weber

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New gas hydrate structures

J. S. Loveday, R. J. Nelmes, M. Guthrie, D. D. Klug and J. S. Tse

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Phase transitions in Al-44at.%Zn and Al-48at.%Zn alloys

S. Popovic and Z. Skoko

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In-situ X-ray diffraction studies of iron ore sinter phases

N. V. Y. Scarlett, M. I. Pownceby, A. N. Christensen and I. C. Madsen

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Phase transitions in (CsPbCl₃)_1−x(CsPbBr₃)_x mixed crystal

Y. Yoshimura, N. Tokunaga, I. Iwasaki, A. Kojima, Y. Maeda and K. Tozaki

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Low temperature charge ordering in Fe₃O₂BO₃ ludwigite

P. Bordet, B. Anterion, M. Mir, R. B. Guimaraes, J. C. Fernandes and M. A. Continentino

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Pulsed-neutron investigations of field-induced two-dimensional magnetic modulations of DyRu₂Si₂

S. Kawano, M. Takahashi, T. Shigeoka, M. J. Bull and N. Iwata

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Magnetic and crystal structures of the frustrated Laves phases and their hydrides under very high pressures

I. N. Goncharenko, P. Cadavez-Peres, I. Mirebeau, I. V. Golosovsky, A. S. Markosyan and T. Le Bihan

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Quantum-mechanical studies of minerals at high pressures and temperature

A. Oganov and G. D. Price

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Photo-excited crystallography of diplatinum complex by multiple exposure imaging plate method

Y. Ozawa, M. Terashima, M. Mitsumi, K. Toriumi, N. Yasuda, H. Uekusa and Y. Ohashi

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How to get a prototypic group of all the crystal structures

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Fibre bundle approach to the derivation of the energy functional of a physical system whose symmetry is described by a Euclidean group

J. Z. Warczewski and P. Gusin

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Potential pitfalls in data collection and space group assignment

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Peculiarities of resolving of crystal structures of organic metals and fullerene compounds

V. V. Gritsenko, O. A. Dyachenko, A. D. Dubrovskii and N. G. Spitsina

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Tables of magnetic space groups

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The structure of twinned Ag₄Mn₃O₈, a novel octahedral framework with a topology related to the archetype cubic {10,3} net

K. Friese, S. Ahlert and M. Jansen

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Energy functionals of a physical system induced by a diffeomorphisms group

P. Gusin and J. Warczewski

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Search for structure-forming components in molecular crystals of binary compounds: a topological approach

E. V. Peresypkina and V. A. Blatov

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Crystallographic data in the Pauling file

K. Cenzual, P. Villars, M. Berndt, K. Brandenburg, J. Daams, F. Hulliger, H. Okamoto, K. Osaki, A. Prince, H. Putz and S. Iwata

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Development of PDBj-ML

N. Ito, K. Kobayashi, H. Sakamoto and H. Nakamura

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New Bruker Nonius' integrated data collection and processing environment

J. Kaercher, R. W. W. Hooft, R. G. Lancaster, S. M. Leo, A. J. Leonard and M. Ruf

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Inorganic crystal structure database: new developments

V. L. Karen and M. Hellenbrandt

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CSDSymmetry: a database of point group and space group symmetry relationships in crystal structures

W. D. S. Motherwell, E. Pidcock, J. W. Yao, J. C. Cole, F. H. Allen and J. A. K. Howard

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Remote access and laboratory information management systems (LIMS) for single crystal diffraction experiments

M. Ruf and M. Adam

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Archiving activities of the Protein Data Bank at Osaka university

T. Kosada, M. Kusunoki, R. Igarashi, Y. Kengaku, S. Saeki and H. Nakamura

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Softness sensitive bond valence models for structure-conductivity correlations in solid electrolytes

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The usage of database techniques to evaluate the structural genomics targets

J. Grembecka, R. Pielaszek, M. Grabowski, Z. Otwinowski and W. Minor

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Star ontologies: knowledge retention through functional relationships

S. R. Hall, D. du Boulay, I. R. Castleden and N. Spadaccini

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Crystal structure prediction by data mining

D. W. M. Hofmann, T. Lengauer and J. Apostolakis

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Structure and properties of lead carboxiphosphonates hybrid materials

A. Cabeza, M. M. G. Alcantara, M. A. G. Aranda, J. G. Mao, A. Clearfield and A. Guagliardi

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Crystallographic study on the incommensurate phase of quartz by SR

K. Ohsumi, Y. Miyata, K. Hagiya and M. Ohmasa

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Maximizing macromolecule crystal size for neutron diffraction experiments

R. Kephart, R. A. Judge, R. Leardi, D. A. A. Myles, E. H. Snell and M. J. van der Woerd

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A crystal structure for the souzalite/gormanite series from synchrotron powder diffraction data

A. Le Bail, P. W. Stephens and F. Hubert

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X-ray resonance multi-beam diffraction: experiments and the perturbative Bethe approximation

Y. Stetsko, G. Y. Lin, Y. S. Huang, C. H. Chao, Y. R. Lee and S.-L. Chang

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Phase determination from overlapped three-beam diffraction profiles of macromolecular crystals by X-ray stereoscopic multi-beam imaging

S.-L. Chang, C. H. Chao, C. Y. Hung, Y. S. Huang, C. H. Ching, Y. R. Lee, S. C. Lai, Y. P. Stetsko and H. Yuan

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Analysis of an ionic network within a protein oligomer and engineering towards higher thermostability

B. Dalhus, A. Bjørk, D. Mantzillas, V. Eijsink and R. Sirevåg

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RHEED standing wave method

T. Kawamura and P. A. Maksym

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Thermal relaxation of nano-island on Si(100)-2×1 surface studied by kinetic Monte Carlo simulation

S. Toyoshima, T. Kawamura and A. Ichimiya

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Debye-Waller factors of Si(111) √3 × √3-Ag

T. Takahashi, H. Tajiri, K. Sumitani and S. Nakatani

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Towards an understanding of radiation damage - report from the second international workshop

E. F. Garman, C. Nave and G. Rosenbaum

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Principles of biomineralisation: silica in the mesoscopic structure of the biocomposits Poacea plant, bamboo Phyllostachus edulis

S. K. Lee, S. Riemann, S. Siroky, J. Felsche and I. Heinmaa

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Experimental and theoretical charge density distribution of dipyridylamine (Hdpa)

C.-C. Wang, L.-C. Wu, C.-K. Chen and S.-M. Tseng

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Structural change during phase transition of the pentacoordinate hypervalent boron compound (10-B-5)

F. Iwasaki, M. Shimizu, D. Hashizume and M. Yasui

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X-ray line broadening study of tetragonal zirconia nanopowders synthesized by gel-combustion

D. G. Lamas, G. E. Lascalea, M. F. Bianchetti, R. E. Juarez and N. E. Walsoe de Reca

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Topological analysis of defects in GaN epitaxial films

R. C. Pond, T.-S. Huang, P. Chalker and G. Dimitrakopulos

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Novel metal halide structures in hybrid organic/inorganic systems

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Quantitative determination of the mineralogical constitution of a Brazilian soil

Y. P. Mascarenhas, A. Macedo da Silva, C. S. de Moya Partiti and A. M. Brinatti

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Low-temperature phase transition and crystal structures of two bicyclic organic molecules

L. Palin, A. N. Fitch, M. Brunelli, J. Wright and A. J. Mora

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The structure of endothelial protein C receptor identifies the binding sites for protein C and reveals a bound lipid molicule

V. Oganesyan, N. Oganesyan, S. Terzyan, Z. Dauter, N. Esmon and C. Esmon

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Sub-picosecond X-ray sources at SLAC, and their crystallographic applications

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Application of singular value decomposition to time-resolved X-ray data; simulations and experiments

M. Schmidt, R. Pahl, V. Srajer, S. Anderson, K. Brister, S. Ruan, S. Rajagopal, Z. Ren and K. Moffat

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Characterization of the protein crystal growth apparatus for microgravity aboard the space station

C. E. Kundrot, A. Achari, D. F. Roeber and C. L. Barnes

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Zinc activation of the nucleophile in tetrameric cytidine deaminase

E. Johansson, N. Mejlhede, S. Vincenzetti, J. Neuhard and S. Larsen

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Evidence of structure adjusting from disorder to smectic ordering in interface boundary layers

X. L. Yu, J. L. You and Y. Wang

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Thermal vibrations in complex antifluorites from lattice dynamics and “local normal mode” model

H.-B. Bürgi, N. Rangavittal and D. Chernyshov

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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.

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