Acta Crystallographica Section A
Acta Crystallographica
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Volume 49| Part s1

ISSN: 2053-2733

August 1993 issue

Abstracts of the XVI IUCr Congress

Beijing, China, 21-29 August 1993

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abstracts

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A personal history of dynamical diffraction theory

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3rd generation X-ray synchrotrons - first experiments from ESRF TROIKA beam line

J. Als-Nieslen, G. Grubel, J. F. Legrand and M. S. Lehmann

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Microtomography

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Time-resolved protein crystallography

K. Moffat, Y. Chen, K. Ng, Z. Ren, G. Borgstahl, D. McRee and E. D. Getzoff

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Direct methods in superspace

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Contribution of crystallography to the elucidation of hydrolytic enzyme mechanisms

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Virus structure and virus infectivity

M. G. Rossmann, P. R. Kolatkar, M. A. Oliveira, R. Zhao, T. S. Baker, N. H. Olson, R. H. Cheng and J. M. Greve

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Crystallography of ribosomes

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Crystallographic environment as an approach to molecular recognition and drug design

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Structure based drug design

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Systematics of crystal packing in molecular solids

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Recognition in supramolecular structures

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Internal surfaces as order principles in solids

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Computer simulation of inorganic structures with first-principle interatomic potentials

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Fullerenes

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Crystal structure and superconducting transition of high T_c materials

V. N. Molchanov

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Neutron and X-ray reflectometry of surfaces and interfaces

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Decagonal quasicrystal and crystalline approximants

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Crystallography in biotechnology

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Time-resolved structural studies

J. R. Helliwell

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The use of synchrotron radiation instrumentation for time-resolved structural studies: muscle diffraction

J. Bordas, N. Bliss, G. Diakun, C. Hall, J. Harries, R. Lewis, G. Mant, M. Martin-Fernandez, A. Svensson and E. Towns-Andrews

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Time-resolved X-ray absorption spectroscopy

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In situ diffraction experiments: recent advances and results

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New type of diffractometer for quick data collection

Y. Ohashi, H. Uekusa, A. Sekine, Y. Takenaka, T. Higashi and T. Sato

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Sub-nanosecond time resolution in Laue diffraction using a third-generation synchrotron

M. Wulff and Å. Kvick

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Deconvoluting Laue multiple diffraction spots by the density modification method

Q. Hao and M. M. Harding

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Development of X-ray focusing optics for microdiffraction

W. Yun, B. Lai, Z. Cai, D. Legnini, K. Randall, A. A. Krasnoperova, F. Cerrina and E. Di Fabrizio

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Time-resolved energy-dispersive powder diffraction study of the formation of cordierite from a chromium-doped cordierite glass

M. Oversluizen, S. M. Clark and G. N. Greaves

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Combined QEXAFS-XRD, a new technique combining in situ fast scanning X-ray absorption spectroscopy and X-ray diffraction

G. N. Greaves, A. J. Dent, B. R. Dobson, S. M. Clark, C. A. Ramsdale, G. Sankar, P. A. Wright, S. Natarajan, J. M. Thomas and R. H. Jones

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Synchrotron radiation for microcrystal structure determination and for Laue time-resolved studies

B. M. Kariuki, M. M. Harding, I. M. Dodd and G. M. T. Cheetham

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Synchrotron radiation diffraction for complete structure determination of a small organometallic crystal, AuOs₃ (CO) ₈PPh₃dppm.PF₆.0.5C₆ H₅Cl

I. M. Dodd, H. Quan and M. M. Harding

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Macromolecular crystallography at LURE: instrumentation for X-ray diffraction data collection and results

R. Fourme, R. Kahn, W. Shepard and A. Beniley

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Data acquisition and processing facilities available at SERC Daresbury laboratory

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Image-plate data collection in Hamburg

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Weissenberg camera for macromolecules with imaging-plate data collection system at PF, present status and future plan

N. Sakabe, K. Sakabe, T. Higashi, A. Nakagawa, N. Watanabe and S. Adachi

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Present and future prospects for macromolecular crystallography at the Cornell High-Energy Synchrotron Source (CHESS)

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Processing of data from large unit cell virus crystals

M. S. Smyth, J. G. Tate and D. I. Stuart

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A new macromolecular crystallography station on the beamline BL-18 at the Photon Factory

N. Watanabe, S. Adachi, A. Nakagawa and N. Sakabe

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Position-sensitive photomultiplier tube neutron detector

C. Wilkinson, M. Lehmann, A. Gabriel, J. Allibon and F. Dauvergne

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A neutron-sensitive TV-image intensifier system

H. G. Smith and J. B. Davidson

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Multiple small-angle scattering - a blessing in disguise?

S. Mazumder and A. Sequeira

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Omega energy filtering TEM: applications in quantitative electron diffraction

C. Deininger and J. Mayer

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Development of CCD-based area detectors for macromolecular crystallography using synchrotron and laboratory sources

W. C. Phillips, M. Stanton, Y. Li, D. O'Mara, J. Xie, E. M. Westbrook, I. Naday, S. Ross, M. L. Westbrook, M. Kanyo and J. W. Pflugrath

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Fundamental parameters: a report of the activities of the Commission on Crystallographic Apparatus

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X-ray TV detector for structural studies with synchrotron radiation source

Y. Amemiya, S. Kishimoto, T. Oguchi, N. Yagi, K. Wakabayashi, Y. Asano, T. Ueki, T. Endo and M. Suzuki

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Gas detectors and image plates. The pros, the cons, the future

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DAFS and DANES: two new X-ray diffraction techniques using real photons and virtual photoelectrons

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Rare earth Mössbauer spectroscopy and MAPON as microscopic probes of the local crystal field

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Resonant nuclear X-ray scattering as a crystallographic tool

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Micro-region crystallography by the Laue method using white SR

K. Ohsumi, K. Hagiya, T. Takase, S. Yasuami, M. Miyamoto and M. Ohmasa

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Computer-aided crystal orientation

Y. J. Jiang, X. N. Wang and L. Z. Zeng

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A highly parallel imaging gas counter for synchrotron radiation diffraction

R. A. Lewis, N. S. Fore, C. Hall, W. Helsby, A. Jones, B. Parker, I. Sumner and J. S. Worgan

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An imaging plate (IP) area-detector system developed for high-speed data-collection from large-unit-cell crystals using a rotating-anode generator

M. Sato, N. Tanaka, Y. Katsube and T. Higashi

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The first experiments with a high power wiggler at the third generation European Synchrotron Radiation Facility

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Inexpensive upgrade of a Nicolet P3M diffractometer

C. Svensson and B. Sommarin

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A laboratory dispersive EXAFS spectrometer

J. Galy, P. Baules, J. Jaud, P. Lecante and A. Mosset

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HX-1B fully microcomputerized four-circles single-crystal diffractometer control system and automated crystal structure analysis system

S. Jinchuan, J. Xing, Y. Daihua and L. Jun

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Neutrons and X-rays for the study of magnetism

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X-ray magnetic critical scattering

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Review of magnetic X-ray diffraction experiments

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Magnetic circular X-ray dichroism: probing local magnetic structures

G. Schutz and S. Stahler

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Site-specific magnetic XANES

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Magnetic structural studies using long-wavelength pulsed neutrons

J. B. Forsyth, C. J. Carlile and P. S. R. Krisna

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Circular magnetic X-ray dichroism at Fe K-edge and Gd L_2,3-edges in Fe/Gd multilayered films

F. Itoh, M. Nakamura, H. Sakurai and H. Kawata

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Magnetic X-ray diffraction from ferromagnetic materials

S. P. Collins, D. Laundy and R. J. Cernik

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Excitations of condensed matter studied by inelastic X-ray scattering with high energy resolution

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Modeling as a complement to powder diffraction experiments in studying inorganic and organic solids

C. M. Freeman and J. M. Newsam

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Orientational order-disorder transitions in the van der Waals complex C₆H₆:C₆F₆ - a case for combining powder neutron and X-ray data

J. K. Cockcroft, A. N. Fitch and J. H. Williams

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Complementarity or competitivity of synchrotron and neutron powder diffraction

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A multi-purpose vacuum diffractometer for operation at the Photon Factory

S. W. Wilkins, Z. Barnea, D. C. Creagh, T. J. Davis, R. Garrett, S. Janky and A. W. Stevenson

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Cation distribution in Zn-oxide spinels

W. Schäfer, G. Will and J. Gal

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Science from pulsed spallation neutron sources

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Pulsed neutron sources and steady reactor sources

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Chemical physics with advanced neutron sources

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SXD: single crystal structural and diffuse scattering studies by time-of-flight neutron Laue diffraction

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Phase determination, extension and refinement by maximum entropy methods

E. Prince, L. Sjölin and D. M. Collins

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Experimental determination of triplet phases of macromolecular structures

K. Hümmer and E. Weckert

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Progress towards application of the minimal function to macromolecules

C. M. Weeks, R. Miller, G. D. Smith, M. M. Teeter and H. A. Hauptman

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Maximum entropy, likelihood and the crystallography of biological macromolecules

C. J. Gilmore, G. Proctor, J. R. Fryer, G. Bricogne, S. Xiang, C. W. Jr Carter, A. Brisson, G. Moser and M. Schmutz

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Electron-density histograms and the phase problem

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Incorporation of direct methods with all the protein-crystallography phasing tools available. A new probabilistic expression for triplets and quartets

C. Kyriakidis, R. Peschar and H. Schenk

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Molecular scene analysis: the integration of direct methods and artificial intelligence strategies for solving protein structures

S. Fortier, J. Glasgow and F. H. Allen

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Electron density squaring method and non-crystallographic symmetry

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Direct phasing for macromolecules by entropy maximisation and likelihood ranking

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Fourier-transform-based methods for phase extension and refinement and perhaps the solution of macromolecules

L. Refaat, C. Tate and M. M. Woolfson

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A density modification procedure for solving small and middle size structures and phase refinement for proteins

M. Shiono, Y. Yada, L. S. Refaat and M. M. Woolfson

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Direct phasing of macromolecular structures by multiple beam diffraction

E. Weckert, W. Schwegle and K. Hümmer

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Fourier series probability distribution of structure factors and its relation with other distributions

G. B. Mitra and S. Das

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The form factor formalism: should higher order tensor representations be used?

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Protein diffraction around the sulfur K-absorption edge using 5 Å X-rays from a storage ring

M. S. Lehmann, H.-H. Müller, S. Stuhrmann and H. B. Stuhrmann

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Parameter refinement in the MAD method by a maximum-likelihood procedure

E. de la Fortelle, G. Bricogne, R. Kahn and R. Fourme

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Determination of the structure of a large protein by MAD phasing: glutamine PRPP amidotransferase

J. L. Smith, E. J. Zaluzec, J.-P. Wery and Y. Satow

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Anharmonic thermal vibration of rutile (TiO₂) determined from nuclear density distribution of maximum entropy method analysis

S. Kumazawa, M. Takata and M. Sakata

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Determination of the anharmonicity constant of GaAs by means of the Bijvoet-relation of the weak (666) reflection

U. Pietsch, K. Paschke and K. Eichhorn

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The superstructure of PbZrO₃: investigation at Pb L_III and Zr K absorption edges

Y. Soejima, K. Nagino, Y. Itoh and K. F. Fischer

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Some new methods of applying multi-wavelength anomalous scattering data

H.-F. Fan, M. M. Woolfson and J.-X. Yao

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Direct determination of powder stuctures by entropy maximisation and likelihood ranking

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Determination of molecular crystal structures on a laboratory powder diffractometer

P. Lightfoot, M. Tremayne, K. D. M. Harris and P. G. Bruce

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Texture correction of powder data for ab initio structure determination

R. Peschar, H. Schenk and P. Capkova

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SIRPOW.92: a useful tool for solving crystal structures from powder data

A. Altomare, G. Cascarano, C. Giacovazzo and A. Guagliardi

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Structure solution from powder diffraction data - incorporating prior chemical knowledge

W. I. F. David and M. A. Estermann

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Direct methods for powder diffraction

H. Schenk, J. Jansen, P. Capkova, W. Lasocha, D. Rafaja and R. Peschar

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Electron distribution in germanium by maximum entropy method

E. Ishibashi, K. Higashimine, S. Minamigawa and K. Nakahigashi

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Charge-density analysis by means of gamma-ray diffraction: NiF₂, FeF₂, SrTiO₃

A. Palmer and W. Jauch

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Direct investigation of atomic thermal vibrations of Be metal by the maximum entropy method

M. Takata, M. Sakata, S. Kumazawa, B. B. Iversen and F. K. Larsen

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Maximum entropy method analysis of X-ray and neutron powder diffraction data of anatase

M. Sakata, M. Takagi, M. Takata, S. Kumazawa and C. J. Howard

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Direct phasing in electron crystallography

D. L. Dorset and M. P. McCourt

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Image deconvolution and resolution enhancement in electron crystallography

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Future prospects for direct structure retrieval in high-resolution electron microscopy

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Direct phase determination from Fourier transforms of EM images

S. Hovmöller, L. Eriksson, X. Zou and G. Svensson

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Solving crystal structures from electron crystallography data via maximum entropy and likelihood

C. J. Gilmore, S. Springett, K. Shankland, J. R. Fryer, G. Bricogne and D. L. Dorset

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Structure factor amplitude and phase determination by omega energy filtered CBED

J. Mayer, C. Deininger and G. Necker

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Use of coherent electron diffraction and conical scanning in obtaining data for direct phasing of reflections in electron diffraction

J. W. Steeds and R. Vincent

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Structure factor determination from energy-filtered CBED patterns

R. Høier, R. Holmestad and K. Marthinsen

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Electron crystallography of inorganic structures at 1 Å resolution - a challenge to X-ray crystallography

X. D. Zou and S. Hovmöller

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A new method to determine unknown crystal structure by electron diffraction

M. Han, Y. X. Cheng, J. Q. Chen, Y. R. Chen and W. X Liu

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Measurement and interpretation of X-ray diffuse scattering from macromolecular crystals

D. S. Moss, S. A. Butler, I. D. Glover, J. R. Helliwell and M. Adams

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Computation of diffuse scattering from simulated disordered crystals

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Diffuse scattering and intramolecular flexibility in proteins

J.-P. Benoit, P. Faure and J. Doucet

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Studies of diffuse scattering reveal liquid-like disorder in protein crystals

Y. Li, D. L. D. Caspar, B. Yu and J. B. Clarage

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Models for diffuse scattering from protein crystals

N. Go, K. Mizuguchi and A. Kidera

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Diffuse scattering in electron diffraction from molecular organic and protein crystals; analysis of crystal-crystal phase transitions

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The disordered structure of mullite using diffuse X-ray scattering

B. D. Butler, T. R. Welberry and R. L. Withers

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Atomic force microscopy helps domain structure determinations by X-ray and thermal analyses

N. Masaki, Y. Yoshimura, H. Kado, K. Yokoyama, T. Tohda, N. Man and M. Sakiyama

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Measurement and analysis of X-ray diffuse scattering from protein crystals

B. Yu, D. L. D. Caspar and Y. Li

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Empirical and calculated thermal diffuse-scattering corrections for single-crystal diffraction data collected with a two-dimensional position-sensitive detector

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The application of graphic desktop software in single-crystal diffractometry

D. Abeln and J. Kopf

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Visualisation of crystallographic data using interactive colour graphics

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MOLDRAW: advanced molecular graphics on a personal computer

P. Ugliengo, G. Chiari and D. Viterbo

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A multifunctional software for crystallographic graphics

J. Shen and J. Liang

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CRYSTRUCT - the crystal structure design supporting system

H. Hayakawa, E. Akiba, S. Ono, K. Naito, M. Kawai and T. Ito

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Entropy maximization constrained by solvent flatness: macromolecular phase extension and refinement

C. W. Jr Carter, S. Xiang, S. Doublié, G. Bricogne and C. J. Gilmore

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SQUASH - combining both real and reciprocal space constraints for macromolecular phase refinement and extension

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Connectivity and the phase problem in macromolecular crystallography

D. Baker, C. Bystroff, A. Krukowski, C. Wilson and D. Agard

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Direct methods and macromolecular crystallography: lights and limits

C. Giacovazzo, A. Guagliardi and D. Siliqi

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AMoRE, an integrated molecular replacement program in protein crystallography: some applications to multibody systems

J. Navaza, Y. Mauguen, P. Saludjian, T. Prangé, P. Alzari and G. A. Bentley

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Phase perturbation as a means of reducing model bias in macromolecular crystallography

M. V. Hosur and K. K. Kannan

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Assessment of bulk solvent models by cross-validation

A. T. Brünger and J.-S. Jiang

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Phase determination of macromolecular crystals from multiple X-ray diffraction using a conventional laboratory source

M.-T. Huang, C.-M. Wang and S.-L. Chang

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Comparison of real space and reciprocal space criteria to assess the accuracy of macromolecular crystal structures

J.-S. Jiang, R. E. Hubbard and A. T. Brünger

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Connectivity and the phase problem in macromolecular crystallography

D. Baker, C. Bystroff, A. Krukowski, C. Wilson and D. Agard

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Collagen fibril structure by X-ray synchrotron radiation studies of multiple isomorphous derivatives

A. Miller, T. J. Wess, L. Wess, M. Saad and A. Hammersley

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Hypertext for crystallography

R. Diamond and A. Mummery

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If we can do it, you can do it: writing a GUI interface for a crystallographic program

P. N. Swepston and B. R. Vincent

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PC - a crystallographic computing tool for experts and novices

V. K. Pecharsky

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The profile fitting in single-crystal X-ray diffractometry

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Use of orthonormal functions for the representation of three-dimensional information

L. J. Pearce, G. E. Tranter and A. Payne

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Molecular scene analysis: a topological approach for the automated interpretation of protein electron density maps

L. Leherte, S. Fortier and J. Glasgow

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The use of a modified double Patterson function in direct phase determination

Y.-F. Wang, R. Peschar and H. Schenk

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A package of fast Fourier transform routines for macromolecular crystallography

E. Prince, M. An, C. Lu and R. Tolimieri

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Statistical analysis and reaction pathways of molecules

K. Huml, F. Soldán and W. Hummel

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SHELXL-92 a new least-squares refinement program for use with single-crystal diffraction data

G. M. Sheldrick and W. T. Robinson

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'CRYSTALS' in control

D. J. Watkin and K. Prout

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The estimation of phase invariants for large direct methods structure determinations

D. A. Langs and D.-Y. Guo

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Comparison of F and F² standard refinements of small molecule crystal structures

S. Ianelli and M. Nardelli

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Triplet and quartet relationships and the positivity postulate

A. Altomare, C. Giacovazzo, A. Guagliardi and D. Siliqi

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SIR92: a powerful direct methods package

A. Altomare, G. Cascarano, C. Giacovazzo, A. Guagliardi, M. Camalli, M. C. Burla and G. Polidori

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How to improve quartet estimates: a simple strategy

C. Giacovazzo and M. C. Burla

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New strategies for direct methods: the active use of negative triplets, negative quartets and psi-zero triplets

G. Cascarano and C. Giacovazzo

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Integration of Patterson and direct methods: about the use of interatomic triangles

A. Altomare, C. Giacovazzo and A. G. G. Moliterni

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Xtal3.2: a crystallographic software system

J. M. Stewart, S. R. Hall, K. D. Watenpaugh, H. D. Flack, D. M. Collins and D. A. Grossie

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Software system for microcrystallography with white SR Laue method

K. Hagiya, T. Takase, Y. Shimizugawa, K. Ohsumi, M. Miyamoto and M. Ohmasa

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Symmetry testing during least-squares refinement

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A systematic study of coordinate precision in X-ray structure analysis: indicators of structural precision for use with the Cambridge Structural Database

J. C. Cole, J. A. K. Howard and F. H. Allen

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Software for X-ray and neutron diffraction experiment

V. E. Anisimov, N. B. Bolotina and L. F. Malakhova

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Running XRS-82 Rietveld system in PC level microcomputer under MS-DOS operating system

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Ab initio solution of misfit layer structures by automatic Patterson and direct methods

P. T. Beurskens, G. Beurskens, E. J. W. Lam, S. van Smaalen and H.-F. Fan

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Toward rapid inorganic phase identification from electron diffraction and EDS data

Y. Le Page, A. Chenite and J. R. Rodgers

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High resolution analysis of the trp repressor/operator interaction: the special role of water molecules

R. G. Zhang, C. K. Kundrot, Z. Otwinowski and P. B. Sigler

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tRNA^Asp aspartyl-tRNA synthetase recognition

J. Cavarelli, B. Rees, M. Ruff, J. C. Thierry and D. Moras

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High resolution strucure of a GCN4 bZIP-ATF/CREB site DNA complex

P. Konig, W. Keller and T. Richmond

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Stereochemical principles of DNA target selection by the steroid/nuclear receptor

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Crystallization of poliovirus RNA-dependent RNA polymerase

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Crystal structure of HhaI DNA methyltransferase complexed with S-adenosyl-L-methionine

X. Cheng, S. Kumar, M. Sha and R. J. Roberts

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Fibre diffraction studies of complexes between DNA and the RecA protein of E. coli

V. T. Forsyth, P. Langan, J. Torbet and E. DiCapua

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The crystal structure of Fis mutant Pro61-Ala: the influence of proline residues on bending of the α-helix

H. S. Yuan, S. E. Finkel and R. C. Johnson

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Active center geometry and depurine mechanism studies of complexes of two ribosome-inactivating proteins

Q. Huang, S. Liu, Y. Tang, S. Jing and Y. Wang

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Purification and preliminary crystallization experiments on DNA-binding proteins human topoisomerase 1 and HIV-2 integrase

X. Qiu, S. Mande, S. Safarty, W. G. J. Hol, L. Stewart, J. J. Champoux, C. Vink and R. H. A. Plasterk

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Structural studies of viral capsids

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The structure of Theiler's virus

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Structure of the virion and empty capsids of A22 Iraq 24/67 foot-and-mouth disease virus

S. Curry, R. Abu-Ghazaleh, W. Blakemore, E. Fry, T. Jackson, A. King, S. Lea, J. Newman and D. Stuart

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The structure of canine parvo-virus

H. Wu, J. Tsao, M. Chapman, W. Keller, M. Agbandje and M. Rossmann

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Structural studies of type-B neuraminidase

C. L. White, M. N. Janakiraman, W. G. Laver, G. M. Air and M. Luo

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CD4-HIV receptor

J.-H. Wang, Y.-W. Yan, P. J. Garrett, J. H. Liu and S. C. Harrison

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The structure of a type C foot-and-mouth disease virus at 3.5 Å

R. Abu-Ghazaleh, W. Blakemore, S. Curry, E. Domingo, E. Fry, T. Jackson, A. King, S. Lea, M. Mateu, J. Newman and D. Stuart

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Deconvolution of data from intimately twinned crystals of FMDV

S. M. Lea and D. I. Stuart

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Icosahedral symmetry of a double-shelled rice dwarf virus by the rotation function

Y. Morimoto, K. Tomizaki, T. Tsukihara, Y. Omura, M. Koizumi, H. Mizuno and H. Kano

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Crystallization and characterization of coxsackievirus B3 (CVB₃)

J. K. Bibler, M. Kremer, L. Tong and M. G. Rossmann

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Purification and crystallographic study of African horsesickness virus core protein VP7

A. K. Basak, J. Grimes, P. Roy and D. I. Stuart

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Structural study of bluetongue virus (BTV) capsid protein VP7

A. K. Basak, J. Grimes, P. Roy and D. I. Stuart

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2.8 Å resolution structure of an idiotype-antiidiotype Fab complex

S. V. Evans, R. To, D. R. Rose, N. M. Young and D. R. Bundle

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Shape complementarity at antibody-antigen interfaces

M. C. Lawrence and P. M. Colman

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The structure of CD2, a cell adhesion molecule

E. Y. Jones, S. J. Davis, A. F. Williams, K. Harlos and D. I. Stuart

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Three-dimensional structure of recombinant murine interferon-β

T. Senda and Y. Mitsui

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Crystallographic studies of pancreatic spasmolytic polypeptide

A. De, M. A. Gorman, D. Brown, M. Sanderson, M. Carr, A. N. Lane and P. S. Freemont

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Structure studies of recombinant interleukin-1 receptor antagonist protein

H. M. Einspahr, L. L. Clancy, M. J. Bienkowski, T. E. Eessalu and B. C. Finzel

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Crystal structure of the Fv fragment of an anti-dansyllysine antibody at 1.6 Å resolution

M. Nakasako, S. Noguchi, Y. Satow, H. Takahashi, I. Shamada and Y. Arata

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The structure of HIV-1 neutralizing antibody 50.1

M. Takimoto-Kamimura, R. L. Stanfield, E. A. Stura, A. T. Profy and I. A. Wilson

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Structure of Limulus polyphemus subunit II hemocyanin in an oxygenated form

K. A. Magnus and H. Ton-That

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Structure and function of ferrodoxins

K. Fukuyama, K. Saeki and H. Matsubara

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The unusual metal clusters of nitrogenase: an analysis of the structure of MoFe-protein (CP1) at 2.2 Å resolution

J. T. Bolin, N. Campobasso, S. W. Muchmore and W. Minor

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Crystal structure studies of two complexes involving amicyanin and its electron transfer partners

L. Chen, R. C. E. Durley and F. S. Mathews

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The iron center in ribonucleotide reductase

P. Norlund, A. Aberg, U. Uhlin and H. Eklund

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What do we know about cytochrome c peroxidase?

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Engineering metal specificity in glucose (xylose) isomerase

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2.8 Å crystal structure of catalase HPII from E. Coli

J. Bravo, J. Tormo, N. Verdaguer, I. Fita, C. Betzel, J. Switala and P. C. Loewen

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X-ray crystallographic analysis of bovine α-lactalbumin

K. K. Kim, J. G. Jeong, J. H. Moon, K. Y. Hwang and S. W. Suh

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Crystal structure of six mutants of azurin from Pseudomonas aeruginosa

L. C. Tsai, V. Langer and L. Sjölin

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Structural study of hydrogenase at 6 Å resolution

Y. Higuchi, S. Misaki and N. Yasuoka

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Crystallographic studies on Sulfolobus acidocaldarius ferredoxin

T. Fujii, M. Oozeki, H. Moriyama, N. Tanaka, T. Wakagi and T. Oshima

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Crystal structure of neutral protease from Streptomyces caespitosus

G. Kurisu, A. Nagara, S. Harada, Y. Kai and N. Kasai

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Crystallographic study of rubredoxin from Desolfovibrio vulgaris Miyazaki F

S. Misaki, S. Sugiyama, Y. Higuchi, N. Yasuoka, Y. Morimoto and T. Yagi

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Crystallization and preliminary structure analysis of protein R2 mutants of Escherichia coli ribonucleotide reductase

X.-D. Su, B.-O. Persson, B.-M. Sjöberg and H. Eklund

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Domain interactions and the type II Cu active site in nitrite reductase

E. T. Adman and S. Turley

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Structure of buffalo lactotransferrin

A. Raman, T. P. Singh and K. L. Bhatia

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Crystal structure of cytochrome c₃ from Desulfovibrio desulfuricans ATCC 27774

J. Morais, C. Frazão, P. M. Matias and M. A. Carrondo

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Crystal structure study of bar-headed goose oxyhemoglobin

J. Zhang, Z. Hua, G. Lu and X. Gu

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Crystal structure analysis of hemoglobins with Mg-substituted α-hemes and ether unliganded or Co β-hemes

S.-Y. Park, A. Nakagawa and H. Morimoto

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The crystallographic structure of bar-headed goose methemoglobin

J. Hua, G. Lu, Z. Hua and X. Gu

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Structure of the recombinant N-terminal lobe of human lactoferrin at 2.0 Å resolution

C. L. Day, B. F. Anderson, J. W. Tweedie and E. N. Baker

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High Resolution structure analyses of apo-azurin and cadmium-substituted azurin from Alcaligenes denitrificans

R. L. Kingston, K. A. Blackwell, B. F. Anderson and E. N. Baker

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Crystal structure of Xenopus laevis copper-zinc superoxide dismutase B

K. Djinovic Carugo, A. Coda, C. Collyer, M. T. Carri, F. Polticelli, A. Desideri, G. Rotilio and M. Bolognesi

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The iron center in ribonucleotide reductase

P. Norlund, A. Åberg, U. Uhlin and H. Eklund

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The role of the metal and important active site residues in enzymatic catalysis of zinc proteinases

H. Feinberg, H. M. Greenblatt, O. Almog, A. Spungin, D. Ben-Meir, S. Blumberg and G. Shoham

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Magnetostructural behaviour of the superexchange coupled Cu-dimers

C. Erasmus and W. Haase

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Towards the atomic structure of 2-oxo acid dehydrogenase multi-enzyme complexes

J. Hendle, A. Mattevi, G. Obmolova, S. Sarfaty, K. H. Kalk, S. Turley and W. G. J. Hol

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Two complexes between electron transfer partners, cytochrome c peroxidase and cytochrome c

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The active site of yeast aspartyl-tRNA synthetase

J. Cavarelli, B. Rees, M. Boeglin, M. Ruff, J. C. Thierry and D. Moras

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Catalytic mechanism of haloalkane dehalogenase: crystal structures of enzyme-substrate, alkyl-enzyme and enzyme-product complexes

H. W. Dijkstra, K. H. G. Verschueren, H. Rozeboom and K. H. Kalk

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Elucidating the mechanism of β-lactamase by crystallographic studies

O. Herzberg, C. C. H. Chen and J. Moult

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Structure and function of glutathione synthetase

H. Yamaguchi, H. Kato, T. Hibi, T. Tanaka, T. Nishioka, J. Oda and Y. Katsube

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X-ray structure of nucleoside diphosphate kinases

J. Janin, C. Dumas, S. Moréra, I. Lascu, M.-L. Lacombe and M. Véron

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Structural studies of glucose dehydrogenase from a thermophilic archaeon

J. J. John, G. L. Taylor, M. J. Danson and D. W. Hough

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The structure of Salmonella typhimurium LT2 neuraminidase at 1.6 Å

S. J. Crennell, G. L. Taylor, E. F. Garman, W. G. Laver and E. Vimr

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Structure of trypanothione reductase from Trypanosoma cruzi

Y. Zhang, S. Bailey, A. H. Fairlamb and W. N. Hunter

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The refined structure of pyruvate kinase at 2.6 Å

S. C. Allen and H. Muirhead

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1.8 Å crystal structure of collagenase from insect larvae Hypoderma lineatum

B. Arnoux, I. Broutin, C. Pascard and A. Ducruix

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Active sites revealed by the refinement at 2.4 Å resolution of methanol dehydrogenase from bacterium W3A1 using the DNA-derived amino acid sequence

Z.-X. Xia, W.-W. Dai, Y.-F. Zhang, V. L. Davidson, G. Boyd and F. S. Mathews

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Crystallization and X-ray structure studies on ACC deaminase

M. Yao, I. Tanaka, K. Hikichi and M. Honma

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High-temperature crystallography of highly thermostable enzyme, 3-isopropylmalate dehydrogenase (IPMDH) from Thermus thermophilus HB8

K. Imada, M. Sato, Y. Katsube and T. Oshima

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Structural studies of active-site mutants of Escherichia coli aspartate aminotransferase

I. Miyahara, K. Okada, K. Hirotsu, T. Yano and H. Kagamiyama

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Crystal structure of a NADH oxidase from Thermus thermophilus refined at 2.3 Å resolution

H. J. Hecht, H. Erdmann, H.-J. Park, M. Sprinzl, R. D. Schmid and D. Schomburg

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Crystal structure of peroxidase from a fungus Arthromyces ramosus

N. Kunishima, K. Fukuyama, H. Hatanaka, Y. Shibano, T. Amachi and H. Matsubara

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Structure analysis of chimeric 3-isopropylmalate dehydrogenase and its thermostable mutants

M. Sakurai, S. Kadono, K. Onodera, H. Moriyama, N. Tanaka, K. Imada, Y. Katsube and T. Ooshima

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Crystallographic and solution studies of H-protein from the glycine decarboxylase complex in pea mitochondria

C. Cohen-Addad, S. Pares, L. Sieker, M. Neuberger, R. Douce and G. Zaccai

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Crystallographic studies towards the catalytic mechanism of glycogen phosphorylase

E. P. Mitchell, L. N. Johnson, Ph. Ermert, A. T. Vasella, S. G. Withers and N. G. Oikonomakos

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Towards the structure of glucose 6-phosphate dehydrogenase by single isomorphous replacement

P. Rowland, A. K. Basak, S. Gover, H. R. Levy and M. J. Adams

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Crystallographic studies on 6-phosphogluconate dehydrogenase from Trypanosoma brucei

C. Phillips, M. P. Barrett, S. Gover, R. W. F. Le Page and M. J. Adams

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Structural studies on alcohol dehydrogenases and inhibitor complexes

S. Ramaswamy, B. V. Plapp and H. Eklund

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Preliminary X-ray diffraction study of γ-glutamyltranspeptidase from E. Coli K-12

H. Sakai, K. Sakabe, N. Sakabe, S. Nohara, H. Suzuki and H. Kumagai

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Crystallographic studies ornithine transcarbamoylase

L. Jin, J. F. Head, L. C. Kuo and B. A. Seaton

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Ricin A refined at 1.7 Å

S. A. Weston, A. D. Tucker, D. R. Thatcher and R. A. Pauptit

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X-ray structure analysis of abrin-a - a ribosome-inactivating protein from seeds of Abrus precatorius

Y. C. Liaw, T. Tahirov, S.-C. Chu, T.-H. Lu and J. Y. Lin

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Fluoride inhibition of enolase: crystallographic studies and electrostatic potential calculations

L. Lebioda, K. Lewinski, E. Zhang and J. M. Brewer

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Crystallographic studies on substrate complexes of ω-amino acid:pyruvate aminotransferase

S. Ikemizu, P. Rehse, N. Watanabe, K. Sakabe, N. Sakabe and K. Yonaha

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Crystal structure of D-glyceraldehyde-3-phosphate dehydrogenase from Palinurus versicolor at 1.8 Å resolution

S.-Y. Song, J. Li, Z.-J. Lin and C.-L. Tsou

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The crystal structure of HMG-CoA reductase from Pseudomonas mevalonii

C. M. Lawrence, V. W. Rodwell and C. V. Stauffacher

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The study of Cu^I and Cu^II dopamine β hydroxylase (DBH) model complexes by X-ray absorption and diffraction

N. Benali-Cherif, M. Pierrot, M. Reglier, I. Ascone and A. Michalowicz

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Crystal structure of the monofunctional chorismate mutase from Bacillus subtilis

Y, M. Chook, H. Ke and W. N. Lipscomb

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High-resolution X-ray structure refinement of human carbonic anhydrase I

M. Ramanadham and K. K. Kannan

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Crystal structure of human carbonic anhydrase I at pH6 and implication to function

V. S. Yadava and K. K. Kannan

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Structure of human carbonic anhydrase I complexed with gold cyanide inhibitor: inhibition mechanism

V. Kumar and K. K. Kannan

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Crystal structure determination of the flavin domain of corn nitrate reductase

G. Lu, W. Campbell, Y. Lindqvist and G. Schneider

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Crystal structures of active-site mutants of T4 endonuclease V: a pyrimidine-dimer-specific excision repair enzyme

K. Morikawa, M. Ariyoshi, K. Katayanagi, T. Doi, D. Vassylyev and E. Ohtsuka

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A comparison of the active site copper-substituted liver alcohol dehydrogenase and two conformations of native Zn-LADH at 1.8 and 1.9 Å resolution

S. Al-Karadaghi and E. Cedergren-Zeppezauer

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The structure of phosphoribosylamino-imidazolesuccinocarboxamide synthase from the yeast Saccharomyces cerevisiae at 3 Å resolution

V. M. Levdikov, A. I. Grebenko, V. V. Barynin and W. R. Melik-Adamyan

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Atomic interactions between carbohydrates and proteins

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Concanavalin A and its interaction with saccharides

S. J. Harrop, J. H. Naismith, C. Emmerich, J. Habash, S. Weisgerber, A. J. Kalb (Gilboa), J. Yariv and J. R. Helliwell

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Crystal structure of peanut lectin, a protein with an open quaternary arrangement

R. Banerjee, S. C. Mande, V. Ganesh, K. Das, V. Dhanaraj, S. K. Mahanta, K. Suguna, A. Surolia and M. Vijayan

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Three-dimensional structure of choleratoxin's B pentamer in complex with its pentasaccharide receptor and comparison with the structure of the related entertoxin from E.coli

E. Merrit, T. K. Sixma, F. van den Akker, S. Sarfaty, S. Turley, K. H. Kalk, I. Feil and W. G. J. Hol

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Calcium-dependent carbohydrate recognition by C-type animal lectins

W. I. Weis, K. Drickamer and W. A. Hendrickson

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Protein oligosaccharide interactions: glycogen phosphorylase and lysozyme

L. N. Johnson and A. Hadfield

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Maltotetraose-complexed structure of an exo-type maltotetraose-forming α-amylase from P. stutzeri

Y. Yoshioka, Y. Matsuura, M. Sato, Y. Katsube and M. Kubota

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Structure of glycosylated lignin peroxidase

K. Piontek, T. Glumoff and K. Winterhalter

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Crystallization and crystal data of a new D-mannose-binding lectin (KM+) from Artocarpus integrifolia

P. S. L. Oliveira, L. M. Beltramini, R. A. Silva-Lucca, R. C. Garratt, G. Oliva, M. C. Roque-Barreira and Y. P. Mascarenhas

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Binding studies of selected sugars and other active-site analogs in crystalline D-xylose isomerase

H. L. Carrell, J. P. Glusker, H. Hoier, C. A. Batt, A. Karplus, R. Whitaker, Y. Cho and J. Cha

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Mutational analysis of DNaseI-DNA-interactions

E. Wolf, I. Brukner, V. Nwosu, S. Weston and D. Suck

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Crystallographic structures of metalloenzymes for DNA repair: the [4Fe-4S] enzyme endonuclease III and the Mg enzyme exonuclease III

C.-F. Kuo, D. E. McRee, C. L. Fisher, S. O'Handley, R. P. Cunningham and J. A. Tainer

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Crystal structures and catalytic mechanism of α-momorcharin

J. Ren, Y. Wang, Y. Dong and D. I. Stuart

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Crystal structure of an abzyme having an esterase activity

B. Golinelli, B. Gigant, T. Bizebard, J. Navaza, P. Saludjian, R. Zemel, Z. Eshhar, B. S. Green and M. Knossow

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Conversion of the three-dimensional structure of acetylcholinesterase to butyrylcholine-sterase: modeling and mutagenesis

M. Harel, I. Silman and J. L. Sussman

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Structure comparison between trichosanthin and momocharin

B. Gao, Y. Wang", S. Chen", S. Wu, X. Ma and Y. Dong

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Three-dimensional structure of the complex of trichosanthin with NADPH at 1.7 Å resolution

J.-P. Xiong, L. Zhang, Z.-X. Xia and Y. Wang

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X-ray studies on the trypsin inhibitor I-2 from wheat germ and its complex with trypsin

A. Suzuki, T. Kurasawa, C. Tashiro, T. Yamane, T. Ashida and S. Odani

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Structure of oligo-1,6-glucosidase refined at 2.0 Å resolution

Y. Hata, H. Kizaki, K. Watanabe, Y. Suzuki and Y. Katsube

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Crystal structure of alkaline serine protease of bacterial origin

T. Yamane, T. Hatanaka, T. Kani, T. Naruse, A. Suzuki, T. Ashida, T. Kobayashi and S. Ito

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Structure analysis of phosphipase A2 from venom of Trimeresurus flavoviridis

E. Matsueda, A. Suzuki, T. Yamane, T. Ashida, H. Kihara and M. Ohno

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Crystalliztion and preliminary crystallographic analysis of triacylglycerol lipase from Chromobacterium viscosum

D. Lang, B. Hofmann, H. J. Hecht, R. D. Schmid and D. Schomburg

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Crystal structure of a thiol proteinase from Staphylococcus aureus V-8 in the E-64 inhibitor complex

B. Hofmann, D. Schomburg and H. J. Hecht

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Structural analysis of Serratia protease

K. Hamada, H. Hiramatsu, T. Fujiwara, Y. Katsuya, Y. Hata, Y. Matsuura and Y. Katsube

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Crystal structure of ribonuclease F1 of Fusarium moniliforme in its free form and in complex with 2 GMP

D. G. Vassylev, K. Katayanagi, K. Ishikawa, M. Tsujimoto-Hirano, M. Danno, A. Pahler, O. Matsumoto, M. Matsushima, H. Yoshida and K. Morikawa

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Crystallization and preliminary study of endoglucanase (EGIII) from Trichoderma reesei

S. Wu, J. Dauberman, K. Clarkson, E. Larenas, G. Weiss, B. Bower, M. Ward and R. Bott

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Crystal structure of lysozyme from Streptomyces erythraeus and crystallization of lysozyme from Streptomyces globisporus

S. Harada, C. Uematsu, Y. Kai and N. Kasai

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Crystal structure of turkey lysozyme complexes with oligosaccharides

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Crystallization and preliminary X-ray crystallographic analysis of the Rhizopus delamar triacyglyceride lipase

Y. Wei, U. Derewenda, M. Haas, R. Joerger, L. Swenson, R. Green and Z. S. Derewenda

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The crystal and molecular structure of a novel mono - and diglyceride specific fungal lipase

U. Derewenda, S. Yamaguchi, Y. Wei, L. Swenson, R. Green and Z. S. Derewenda

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Crystal structures of LYS49 phospholipases A2 from Bothrops asper and Bothrops godmani venoms

R. K. Arni, R. Ward and J. M. Gutierrez

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X-ray crystallographic analysis of the photosensitive nitrile hydratase

J. Honda, N. Kamiya, T. Nagamune, K. Kiribuchi, H. Sasabe, H. Iwasaki and I. Endo

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Monochromatic X-ray structure analysis of ribonuclease A as a preliminary to time-resolved Laue analysis

T. Nonaka, E. Tanno and Y. Mitsui

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The three-dimensional X-ray structures of (1-3,1-4)-β-glucanase and (1-3,1-3)-β-glucanase from barley grain 2.6 Å resolution

J. N. Varghese, T. P. J. Garrett, L. Chen, P. B. Hoj and G. B. Fincher

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X-ray crystal structure of a bifunctional inhibitor of trypsin and α-amylase at 2.78 Å resolution

B. Padmanabhan, S. Alagiri and T. P. Singh

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Structure of a ternary complex of proteinease K, Hg and a substrate analog hexapeptide N-Ac-Pro-Ala-Pro-Phe-Pro-Ala-NH₂

A. K. Saxena, T. P. Singh, Ch. Betzel, M. Visanji, K. Peters and S. Fittkau

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X-ray structure determination of subtilisin E at 2 Å resolution

N.-M. Chu, K. Shi, L. Zhou, R.-C. Bi, L. Deng and B. Li

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Crystal structure of acidic phospholipase A₂ from the venom of Agkistrodon halys pallas

X. Q. Wang, J. Yang, L. L. Gui, Z. J. Lin, N. Q. Lin and Y. C. Zhou

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The crystal structure of the ternary complex of mung bean trypsin inhibitor with two porcine trypsin (PTRY-MBI-PTRY) at 2.8 Å resolution

Y. Jin, S. Liu, G. Li, Y. Tang and Z. Chi

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The crystal structure of the complex of porcine pancreatic elastase with C/E-1 inhibitor, a member of a novel inhibitor family of serine proteinases

K. Huang, R. J. Peanasky and M. N. G. James

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Three-dimensional structure analysis of Achromobacter protease I at 1.2 Å resolution

Y. Kitagawa, Y. Katsube, K. Sasi, Y. Matsuura, S. Norioka and F. Sakiyama

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The ability of time-resolved Laue crystallography to discriminate small changes in structure: appearance of a hydrolytic water molecule in trypsin catalysis

P. T. Singer, A. Smalås, R. P. Carty, W. F. Mangel and R. M. Sweet

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High resolution crystal structure of intact elongation factor Tu in its active form reveals major domain rearrangements

R. Hilgenfeld, L. Reshetnikova, N. Schirmer, C. O. A. Reiser, M. Sprinzl and H. Berchtold

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Structure of bacteriophage T7 RNA polymerase at 3.3 Å resolution

R. Sousa, Y. J. Chung, J. P. Rose and B.-C. Wang

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Structure of the regulatory domain of scallop myosin at 2.8 Å resolution

X. Xie, D. Harrison, I. Schlichting, R. Sweet, V. N. Kalabokis, A. G. Szent-Gyorgyi and C. Cohen

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Crystal structures of steroid dehydrogenase enzymes

W. L. Duax, D. Ghosh, M. Erman, W. Pangborn, S. Nakajin, S. Ohno and M. Shinoda

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Crystal structure of the Aeromonas toxin proaerolysin in its water soluble and membrane-channel states

M. W. Parker, J. T. Buckley, A. D. Tucker, K. Leonard and D. Tsernoglou

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Crystal structure of the complex between a single chain antibody and neuraminidase: a basis for rational protein engineering

R. L. Malby, M. C. Lawrence, W. R. Tulip, V. R. Harley, R. G. Webster, P. J. Hudson and P. M. Colman

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The crystal structure of L-1 isozyme of soybean lipoxygenase

W. Minor, J. T. Bolin, J. Steczko, B. Axelrod and Z. Otwinowski

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Crystal structure of a bacterial muramidase: the soluble lytic transglycosylase from E. coli

A.-M. Thunnissen, A. Djkistra, I. Rozeboom, K. H. Kalk, W. Keck and B. W. Dijkstra

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The three-dimensional structure of the histidine-containing phosphocarrier protein Hpr from E. coli at 2.0 Å resolution

Z. Jia, E. B. Waygood, J. W. Quail and L. T. J. Delbaere

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Refined structure and solvent network of chicken gizzard G-actin DNase 1 complex at 1.8 Å resolution

K. Sasaki, K. Sakabe, N. Sakabe, H. Kondo and M. Shimomura

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Studies of myosin light chain tertiary structure

L. Chung, D. R. Brown, W. Huang, B. D. Hambly and P. M. G. Curmi

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Mechanism of the hydrolysis of Ras p21.GTP.Mg(H₂O)₂

A. Preisinger, A. Beyer and A. Bauer

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X-ray structure of the (Ala-84→Val] mutant of human tumor necrosis factor

P. Saludjian, T. Prange, X. Van Ostade, J. Tavernier, W. Fiers and J. Navaza

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X-ray crystallographic studies of leukemia inhibitory factor

A. J. McCoy, V. Staton, A. Van Donkelaar, J. N. Varghese and P. M. Colman

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Large motions in signal transductions associated with calmodulin and initial receptors for active transport and chemotaxis

F. A. Quiocho, W. E. Meador and A. Sharff

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Study of guanosine derivaties by X-ray diffraction

L. Q. Amaral, R. Itri and P. Mariani

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Collagen fibril structure and mineral crystal growth in normal and pathological bones

W. Traub, T. Arad and S. Weiner

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Data collected and evaluated from crystals of ribosomal particles

I. Agmon, H. Bartels, W. S. Bennett, Z. Berkovitch-Yellin, K. von Bohlen, A. Dribin, M. Eisenstein, F. Franceschi, H. A. S. Hansen, J. Harms, G. Kryger, I. Levin, F. Schlunzen, R. Sharon, J. Thygesen, N. Volkmann, A. Yonath and A. Zaytzev-Bashan

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Crystallography of a multienzyme complex containing rubisco

M. V. Hosur and K. K. Kannan

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A study of the interaction modes for bile salts

A. R. Campanelli, S. Candeloro De Sanctis, M. D'Alagni, A. D'Archivio, L. Galantini, E. Giglio and L. Scaramuzza

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X-ray analysis of yeast lipoamide denhydrogenase at 3.5 Å resolution

T. Toyoda, O. Matsumoto, T. Hata and A. Takenaka

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The crystal structure of porcine pancreatic spasmolytic polypeptide: a member of a novel family of growth factors

A. De, M. A. Gorman, D. Brown, M. R. Sanderson, M. Carr, A. N. Lane and P. S. Freemont

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Preliminary crystallographic studies of mouse liver glutathione S-transferase Yb1

Q. Zhao, J. Hayes, R. Wolf and H. Driessen

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The crystal structure of cholesterol oxidase complexed with a dehydroisoandrosterone substrate at 1.9 Å resolution

J. Li, P. Brick and D. Blow

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X-ray structure analysis of abrin-a from the seeds of Abrus precatorius

T. H. Tahirov, T.-H. Lu, Y.-C. Liaw and J.-Y. Lin

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Molecular basis of cell adhesion: crystal structures of a fibronectin fragment and a molecular mimic for fibrinogen

K. R. Ely, C. Dickinson, B. Veerapandian, C.-Z. Ni and R. Kodandapani

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A new structure type of insulin hexamer T₃R₃^t

D.-C. Wang, Z.-H. Zeng and Y.-L. Hu

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Crystallographic study on a series of neurotoxins with different toxicities from Chinese scorpions

L. Jin, H. Li, M. Wang, Z. Zeng and D. Wang

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Structural comparison of two crystal forms of trichosanthin

Z.-J. Fu, K.-J. Zhou, Y.-J. Lin, M.-H. Chen and K.-Z. Pan

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Three-dimensional structure and function of tricosanthin

K.-Z. Pan, Y.-J. Lin, K.-J. Zhou, Z.-J. Fu and M.-H. Chen

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Preliminary crystallographic studies of grotin II

M.-H. Chen, K.-J. Zhou, Z.-J. Fu and K.-Z. Pan

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Structure of orthorhombic crystal of trichosanthin at 1.88 Å resolution

K.-J. Zhou, Z.-J. Fu, M.-H. Chen, Y.-J. Lin and K.-Z. Pan

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The refined crystal structure of the neurophysin-oxytocin complex at 2.8 Å resolution

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

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The refined crystal structure of a neurophysin-dipeptide complex at 2.5 Å resolution

C.-K. Wu, J. P. Rose and B.-C. Wang

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Refinement and interpretation of the X-ray structure of apo-neocarzinostatin at 1.8 Å resolution

M. Ramanadham and L. C. Sieker

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Crystallization and X-ray diffraction studies of recombinant human platelet-derived endothelial cell growth factor

G. Spraggon, C. P. Ponting, E. Y. Jones, G. J. Barton, D. I. Stuart, C. Finnis and D. Sleep

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Crystal structure analysis of human dihydrofolate reductase inhibitor complexes

V. Cody, J. R. Luft, E. Jensen, W. Pangborn, A. Wojtczak, N. Galitsky, J. H. Freisheim and R. Blakley

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Structural determination of the neuraminidase of influenza virus A N2 subtype

L. Zhou and M. Luo

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Crystallographic refinement of trichosanthin at 1.1 Å resolution

X.-Q. Ma, L. Jin, H. Y. Gong and D. C. Wang

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Solvent structural study on deuterated sperm whale myoglobin by both X-ray and neutron diffractions

F. Shu, V. Ramakrishnan and B. P. Schoenborn

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Refined crystal structure of chicken annexin V

D. A. Waller, M. C. Bewley and J. H. Walker

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Crystal structure of psophocarpin B₁: a chymotripsin inhibitor from winged beam seeds

J. K. Dattagupta, A. Podder, C. Chakrabarti, U. Sen, S. K. Dutta and M. Singh

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Prediction of water around polar protein side chains: an aid to structure refinement

S. M. Roe and M. M. Teeter

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X-ray structural study of apohaemoferritin

G. Précigoux, J. Yariv, A. Dautant, B. Gallois, B. Langlois d'Estaintot and B. Busetta

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Structural studies on bovine plasma retinol binding protein (RBP)

G. Zanotti, R. Berni, P. Spadon and H. L. Monaco

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The structures of transmembrane channels

B. A. Wallace, D. Doyle, B. Hussain-Bates and R. W. Janes

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Structural studies on bioactive peptides

G. Précigoux, S. Llido, S. Geoffre and P. Picard

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Design, structure and activity of conformationally specific peptides

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Molecular structure and biological activity: transthyretin-inhibitor binding interactions as a target site model

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Structural determination of natural products

A. Y. Lee and J. Clardy

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Polymorphism and bioinequivalence of 6-methyluracil

N. B. Leonidov, S. I. Uspenskaya, P. M. Zorky and A. E. Masunov

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A study on structure-activity relationships in 16- and 17-substituted estranes and androstanes

S. Stankovic, D. Miljkovic, R. Kovacevic, D. Lazar, Lj. Medic-Mijacevic, V. Pejanovic and Ch. Courseille

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X-ray analysis of the new hypoglycem drug repaglinide: common structural features with glibenclamide

W. Grell, M. Mark, K. Thomae and P. Luger

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Absolute configuration of the (-)-(1S)-camphanate ester of (+)-ethanol-1-d by neutron diffraction

R. Bau, T. Metzenthin, T. F. Koetzle and H. S. Mosher

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Peptide models for understanding packing interactions in the interior of globular proteins: crystal structure of leucyl-leucyl-leucine HCl

E. Subramanian, S. S. Rajan and V. Jayashree

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The effects of metal-binding on a nucleobase: a comparison of charge density in adenine hydrochloride and its zinc complex

L. M. Cunane and M. R. Taylor

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Structural study of triazole anti-fungals

T. Hata, Y. Furukawa, T. Konosu and S. Oida

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Structural investigations of azithromycin , its derivatives and copper complex

B. Kamenar, N. Košutić-Hulita, D. Mrvoš-Sermek, A. Nagl, I. Vicković, S. Đokić, G. Kobrehel, G. Lazarevski, N. Lopotar, M. Vinković, B. Metelko and D. Vikić-Topić

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Crystal structure of 30-dechloro-30-methoxy-25-O-methyl-N-methylnaphthomycin A

C. Burla, M. Brufani, L. Cellai, S. Cerrini, W. Fedeli, W. Keller-Schierlein and D. Lamba

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Crystal structure of calactin, a cardenolide from Asclepias linaria

T. Hernández-Quiroz, M. Soriano-García, A. Rodríguez-Romero, C. Valencia, L. Hernández and F. Aguirre

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Uncomplexed ionophore analogs - crystal structure of modified 25-crown-7 ether

M. E. Sobhia and K. K. Chacko

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Structure and function study on diterpenoid lactone in Tripterygium Wilfordii Hook. F

Y. Lu, Z. Y. Tian and Q. T. Zheng

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Structure and conformation studies of crystalline antibiotics: crystal structure and absolute configuration of kanamycin

A. Yoram, A. Puius, T. Stievator and T. Srikrishnan

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Structural and functional studies of tilorone, an interferon inducer. Crystal structure and conformation of 2,7-bis[piperidinopropoxy]-9H-fluoren-9-one

T. Srikrishnan, K. B. Dasari and B. Albini

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Conformation of 4-substituted 2,6-bis(1-pyrrolidinylmethyl)phenol antiarrhythmics in different protonation state

M. L. Główka and P. W. Codding

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A structural investigation on the α-ketoglutaric acid thiosemicarbazone in metal complexes

M. Belicchi Ferrari, G. Gasparri Fava, C. Pelizzi, P. Tarasconi and G. Pelosi

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Crystal structure of a quinolone derivative with antimalarial activity

M. V. Capparelli, J. E. Charris and D. Cascio

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X-ray structural analysis of two new potential active antimalarial drugs

D. Gómez de Andérez, R. Avila, J. Domínguez and S. Khan

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Beticolins, a new class of toxins produced by Cercospora beticola, a parasitic strain of sugar beets

A. Neuman, T. Prangé, M. L. Millat, J. Einhorn and J. P. Blein

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The structure of dutomycin

M.-Q. Chen, J. Liu, L.-J. Xuan, S.-H. Xu, H.-L. Zhang and Y.-M. Xu

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The prototypes of the enniatin B channels in the crystal structure of this membrane-active antibiotic

G. N. Tishchenko, N. E. Zhukhlistova, V. I. Andrianov and P. Main

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The crystal and molecular structure of N-methyl-11-hydroxy-1,2,10-trimethoxyadorphine

A. H. Othman and I. M. Said

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Structural study of DNA/RNA and their complexes with antitumor drugs by X-ray crystallography

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Structural studies on DNA minor groove recognition by drugs

C. M. Nunn, N. Spink, D. G. Brown, K. J. Edwards and S. Neidle

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Conformation of basic proteins and chromatin structure

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The crystallization of deoxyoligonucleotides

G. P. Schroth, T. K. Kagawa, K. Tseng, B. Basham and P. Shing Ho

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The control of DNA structure and topology

J. Chen, J. E. Mueller, Y. Zhang, S. M. Du, Y. Wang, T.-J. Fu, H. Wang, H. Qiu, S. Zhang and N. C. Seeman

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The structure of d(CGTAGATCTACG) at 2.25 Å resolution

G. A. Leonard and W. N. Hunter

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Preliminary crystallographic studies on hammerhead ribozymes

O. Matsumoto, Y. Chen, S. Hasegawa, A. Takenaka, A. Ohta, M. Koizumi and E. Ohtsuka

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Refined structure of helix A from Thermus flavus 5S rRNAs at 2.3 Å resolution using synchrotron radiation

Ch. Betzel, S. Lorenz, E. Raderschall, J. P. Fürste, R. Bald, M. Zhang and V. A. Erdmann

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Antitumor drug SN6999 perturbs the DNA double helix and O⁶-ethyl-G:C base pair: crystal structure of the d[CGC(O⁶-ethyl-G)AATTCGCG]-SN6999 complex

Y.-G. Gao, M. Sriram, W. Denny and A.H.-J. Wang

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Crystal and molecular sructure of a hexadecahydrated 2:1 co-complex of inosine 5'-monophosphate with L-serine, 2C₁₀H₁₃N₄O₈P.C₃H₇NO₃.16H₂O

S. Ghosh, S. Pain, I. Dey, G. Biswas, B. P. Mukhopadhyay and A. Banerjee

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Ambiguous packing of DNA helices in crystals of d(CGCACG).d (CGTGCG)

C. Sadasivan and N. Gautham

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Improved method for RNA secondary structure prediction

X. Yuan, Y. Luo, L. Lai and X. Xu

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Structure of highly concentrated phases of DNA by X-ray diffraction

D. Durand, J. Doucet and F. Livolant

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Orthorhombic and tetragonal structures of the octamer d(GTACGTAC)

M. Hospital, B. Langlois d'Estainot, A. Dautant, C. Courseille, G. Comberton and G. Précigoux

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New in situ crystallization techniques with IR laser

R. Boese and M. Nussbaumer

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Single-crystal data with synchrotron radiation - what can it offer?

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The background: a non-event in single-crystal diffractometry

A. T. H. Lenstra, S. Maes and C. Van Hulle

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When automatic structure solution fails

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The role of the model in X-ray refinement

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Oriented independent atoms from X-ray diffraction data. Intra- and intermolecular bonding in organic crystals

J. E. Niu, L. L. Miller and W. H. E. Schwarz

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Charge density distribution in tetraazathiapentalenes with hypervalent S—N bonds

S. Kakuma, S. Yoshida, S. Murata, M. Yasui and F. Iwasaki

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Charge density study of a chromium Fischer carbene complex: a study based on multipole model refinement and ab initio CASSCF calculation

K.-J. Lin, H.-J. Liu, K.-S. Chan and Y. Wang

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Vitamin C at 118 K: experimental and theoretical study of the charge density

R. Bianchi, P. Ugliengo and D. Viterbo

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The structure of water as organized in an RGD peptide crystal: encapsulation of a valine methyl group; comments on'melting'

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Molecular design of peptides: synthesis, molecular structure and β-turn II' formation of N-Boc-L-Phe-dehydro-Abu-NH-CH₃ in crystals

P. Narula, S. Dey, P. Sharma and T. P. Singh

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Crystal structure and conformation of the tripeptide L-leucyl-L-leucyl-L-leucine

K. Go and R. Parthasarathy

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X-ray crystal structure of conformationally constrained pentapeptide Boc-Pro-dehydro-Phe-Ala-dehydro-Phe-Ala-OMe

K. R. Rajashankar, S. Ramakumar and V. S. Chauhan

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Structure of [Phe¹, Ala⁹] antamanide

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The crystal and molecular structure of N²-phenylsulphonyl-L-glutamine

Y.-M. Zhang, S.-H. Zhang, Z.-L. Liu and R.-X. Zhuo

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Hydrogen-bonding patterns in X-ray diffraction studies of neuropeptides

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

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Structural characterization of two potent anticonvulsant 1,5-substituted-3-pyrazolidone compounds

Q.-C. Yang, H.-J. Xu, L.-H. Lai and Y.-Q. Tang

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Conformational analysis of pyrazolidone-3-type compounds and three-dimensional QSAR study

H. J. Xu, L. H. Lai, Q. C. Yang and X. J. Xu

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The crystal and molecular structure of styryl boronic acid: a potential wood preservative

G. J. Gainsford and R. H. Meinhold

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X-ray study of a saturated methylene-bridged imidazo[2,1-a]isoindolone

A. Kapor, B. Ribár, G. Stájer, S. Frimpong-Manso, G. Bernáth and P. Engel

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Conformation analysis of lignans and synthetic analogues in Schisandra chinensis

B. Wu, Y. Lu and Q. T. Zheng

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Crystal structure and molecular conformation of the antimalarial drug: primaquine diphosphate

M. Wisz and T. Srikrishnan

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Studies on the structure and conformation of trimethoprim: X-ray investigation of the drug with three different conformers in the crystalline state

K. B. Dasari and T. Srikrishnan

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Simulating antigen-antibody recognition

J. Janin, J. Cherfils and S. Duquerroy

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The correlation between structure flexibility of peptide fragments in proteins and their sequence distribution in database

L.-H. Lai, X.-P. Gong and X.-J. Xu

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Protein secondary structure prediction using the three-dimensional profile method

K. Y. J. Zhang and D. Eisenberg

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Design strategy for protein stability: stable local conformation in consistency with the global conformation

K. Ishikawa, S. Kimura, K. Morikawa, S. Kanaya and H. Nakamura

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Rule-based approaches to comparative modelling

Z. Y. Zhu, M. S. Johnson, H. Wako, R. Sowdhamini, N. Srinivasan, K. Guruprasad, Z. Sun, B. Reddy, S. Rufino, Y. Edwards and T. Blundell

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Comparative structural and stereoelectronical study of pinicadil, diazoxide and cromakalim, potassium channel openers belonging to three different chemical classes

L. Dupont, B. Pirotte, P. de Tullio, B. Masereel, M. Schynts and J. Delarge

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Modelling of some retroviral aspartyl proteinases. Study of the shorter sequence required for the in vitro enzymatic activity

S. Geoffre, R. Léonard, S. Llido, P. Picard and G. Précigoux

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Directional preferences of binding of functional groups

J. P. Glusker, C. W. Bock, L. Shimoni, A. Kaufman, A. B. Carrell and H. L. Carrell

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Molecular simulation of human insulin-like growth factor 1

B. Xiao, C. Verma and G. G. Dodson

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Tempering with success: using structure to develop second-generation engineered subtilisins

R. Bott, J. Dauberman, L. Wilson, B. Schmidt, G. Ganshaw, J. Sanford, D. Estell, H. Sagar and T. Graycar

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Models for catalytic antibodies: a tool for understanding their mechanism of action

M. Eisenstein, D. S. Schindler, R. Zemel, B. S. Green and Z. Eshhar

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Modelling study of a neutral phospholiphase A₂ from the venom of Agkistrodon halys pallas

X. Q. Wang and Z. J. Lin

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Distance geometry and molecular dynamics conformational search of a cyclic peptide for protein de novo design

Z.-W. Luo, L.-H. Lai and X.-J. Xu

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Electrostatic effects in protein: comparison of TK method and FDPB method

Y.-L. Wang, L.-H. Lai and X.-J. Xu

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The design of template assembled parallel four-helix bundle protein

Y. Luo, Z.-W. Miao, L.-H. Lai and X.-J. Xu

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Constraint peptide conformational analysis by Monte Carlo simulated annealing

L.-Y. Wang, Q.-L. Deng, L.-H. Lai, Y.-Z Han and X.-J. Xu

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Studies of the structure-activity relationship of TTI inhibitor

S.-P. Liu, Q.-C. Huang, Y.-Q. Tang and Z.-W. Qi

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Modelling of hydrogen bonding in X-ray protein structures using neutron data from amino acids and small peptides

M. Ramanadham, V. S. Jakkal and R. Chidambaram

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Identification of key residues for carbonic anhydrase isoenzymes: use of sequence and crystallographic data

V. Kumar and K. K. Kannan

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Design of metallothionein alpha domain polymer

J. Luo, A. Pan, S. Yin, J. Sun, B. Kuang, L. Li, B. Ru and X. Gu

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Structure of HIV reverse transcriptase

J. Wang, S. J. Smerdon, L. A. Kohlstaedt, J. Jacger, P. A. Rice, J. M. Friedman and T. A. Steitz

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Structure of HIV-1 reverse transcriptase/dsDNA/Fab complex: protein-DNA interactions and structure of the polymerase active site

J. Ding, A. Jacobo-Molina, R. G. Nanni, X. Lu, C. Tantillo, A. D. Clark Jr, S. H. Hughes and E. Arnold

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Structural studies on a new crystal form of HIV reverse transcriptase

R. M. Esnouf, E. F. Garman, E. Y. Jones, D. I. Stuart, G. K. Darby, C. K. Ross, D. O'N. Somers and D. K. Stammers

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Interactions of the CD4 and CD8 T-cell co-receptors in the cellular immune response

W. A. Hendrickson, P. D. Kwong, D. J. Leahy, S.-E. Ryu, H. Wu and H. Yamaguchi

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Structural studies of CD4: crystal structure of domains 3 and 4 and their implication for the overall receptor structure

R. L. Brady, G. Lange, E. J. Dodson, A. N. Barclay and G. G. Dodson

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Toward the design of potent dual inhibitors of HIV-1 and HIV-2 proteases

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Binding of the hydroxyethyl-urea isostere to HIV-1 protease

W. C. Stallings, H.-S. Shieh, R. A. Stegeman, G. A. DeCrescenzo, D. P. Getman, R. M. Heintz, K. L. Reed, J. J. Talley, M. E. Gustafson, K. D. Junger, M. Clare, K. A. Houseman, R. A. Mueller and M. L. Vazquez

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The structure of human purine nucleoside phosphorylase and its use in inhibitor design

C. E. Bugg, S. E. Ealick, J. A. Montgomery, J. A. Secrist, Y. S. Babu, M. D. Erion and W. C. Guida

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Quaternary ligand binding sites of acetylcholinesterase as revealed by X-ray crystallography

M. Harel, I. Silman and J. L. Sussman

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The three-dimensional structure of human serum amyloid P-component defined at 2.0 Å reveals a lectin like fold and calcium mediated ligand binding

J. Emsley, H. E. White, G. O. Oliva, B. P. O'Hara, S. P. Wood, I. J. Tickle, M. B. Pepys and T. L. Blundell

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A structural comparison of bacterial and viral neuraminidases

G. L. Taylor, S. J. Crennell, E. F. Garman, W. G. Laver and E. Vimr

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Structural, functional and evolutionary implications of the three-dimensional crystal structure of murine interferon-β

Y. Mitsui and T. Senda

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Structural immunology of mouse MHC class 1

I. A. Wilson, D. H. Fremont, M. Matsumura, E. A. Stura and P. A. Peterson

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The model of substrate interaction with α-momorcharin by computer graphic simulation

Y.-C. Dong, R.N.-S. Wong, P.-C. Shaw, H.-W. Leung and H.-W. Yeung

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The structure of des-F1-meizothrombin: the nature and location of kringle-thrombin and kringle-kringle interactions

P. D. Martin, M. G. Malkowski, C. T. Esmon and B. F. P. Edwards

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Design and properties of inhibitors of influenza virus neuraminidase

P. M. Colman, J. N. Varghese, M. von Itzstein and C. R. Penn

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The design of potential drugs for the treatment of diabetes: a QSAR study

K. A. Woods, L. N. Johnson and G. Cruciani

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The structures and biological properties of three insulin mutants

B. Xiao, J. Turkenburg, C. G. Suresh, J. Clarkson, S. Chaudhuri, E. J. Dodson, G. G Dodson and J. Brange

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Glucose analogue inhibitors of glycogen phosphorylase: the design of potential drugs for diabetes

K. A. Woods, E. P. Mitchell, L. N. Johnson, G. W. J. Fleet, M. Orchard, J. C. Son, C. Bichard, N. Oikonomakos, D. Leonidas and A. Papageorgiu

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Crystal structure of cholera toxin

R. G. Zhang, M. L. Westbrook, S. L. Nance, E. M. Westbrook and D. Scott

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The binding structures of antithrombosis and antipancreatitis drugs with thrombin and trypsin

C. Sasaki, H. Kubodera, C. Okumura, R. Kikumoto and T. Matsuzaki

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Structural properties of functional groups which produce class III antiarrhythmic action

X.-L. Sui and P. W. Codding

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Correlation of inhibitory power with structures of sulfonamide drugs complexed to human carbonic anhydrase 1 enzyme

S. Chakravarty and K. K. Kannan

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Successful rational selective inhibition of a trypanosomal enzyme

C. L. M. J. Verlinde and W. G. J. Hol

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Structure-based drug design in the pharmaceutical industry: some lessons learned

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Inhibitor design for human rheumatoid arthitic synovial fluid phospholipase A₂

Q.-L. Deng, L.-H. Lai, Y. Luo and X-J. Xu

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Structural studies of dexmedetomidine hydrochloride, a new drug substance

R. Rajala and E. Laine

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Graph set analysis of hydrogen-bond patterns in organic crystals. Recent developments and applications

J. Bernstein, L. Shimoni, R. E. Davis and N.-L. Chang

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Intramolecular N—H⋯O=C hydrogen bond formation in conjugated systems

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A common packing principle of acyclic sugar derivatives

C. André and P. Luger

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1,3-parallel interactions in alditols ('Sugar Alcohols'): New Insights

J. Kopf and P. Köll

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The use of composite crystal-field environments derived from crystal packing in molecular recognition and the 'De-NOVO' design of protein ligands

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Key role of specific intermolecular interactions in formation of organic crystal structures

A. E. Masunov and P. M. Zorky

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Structures of unstable intermediates in the crystalline state reactions

Y. Ohashi, A. Sekine, H. Uekusa, Y. Takenaka and Y. Sakai

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Configuration and nonlinear optical properties of DMIT derivatives

Q. Fang and Q. Zheng

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Supramolecular architectures of metalloporphyrins in crystalline solids

I. Goldberg, H. Krupitsky and C. E. Strouse

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Structure and properties of an alkenyl liquid crystalline compound

S. Gupta, A. Nath, S. Paul and H. Schenk

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Molecular packing of some 4-(substituted phenyl)-3-cyano-1,1-diphenyl-2-azabutadienes

O. Angelova, J. Macicek and V. Dryanska

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Conformational studies of two cembranic diterpenoids

J.-E. Berg, E. Olsson and I. Wahlberg

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Methyl rearrangement in the solid state

M. Kaftory and E. Handelsman-Benory

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Acta Cryst. (1993). A49, c168
doi: 10.1107/S0108767378095185