Citations
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Perspectives on Li and transition metal fluoride phosphates as cathode materials for a new generation of Li-ion batteries
TL;DR: The crystal structures of various mixed Li and transition metal fluoride phosphates are reviewed, with a special focus on their applicability as cathode materials for Li-ion batteries.
Journal ArticleDOI
SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data
TL;DR: SUePDF is software to convert electron diffraction data to quantitative pair distribution functions and its intended purpose is to provide real-time information about the diffraction and distribution of particles in a discrete-time environment.
Journal ArticleDOI
The first X-ray diffraction measurements on Mars
David L. Bish,David Blake,David T. Vaniman,Philippe Sarrazin,Thomas F. Bristow,Cherie N. Achilles,Przemyslaw Dera,Steve J. Chipera,Joy A. Crisp,Robert T. Downs,Jack D. Farmer,Marc Gailhanou,D. W. Ming,John Michael Morookian,Richard V. Morris,Shaunna M. Morrison,Elizabeth B. Rampe,Allan H. Treiman,Albert S. Yen +18 more
TL;DR: The CheMin instrument has returned the first X-ray diffraction data for soil and drilled samples from Mars outcrops, revealing a suite of primary basaltic minerals, amorphous components and varied hydrous alteration products including phyllosilicates.
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Water‐Mediated Recognition of Simple Alkyl Chains by Heart‐Type Fatty‐Acid‐Binding Protein
Shigeru Matsuoka,Shigeru Sugiyama,Daisuke Matsuoka,Mika Hirose,Sébastien Lethu,Hikaru Ano,Toshiaki Hara,Osamu Ichihara,S. Roy Kimura,Satoshi Murakami,Hanako Ishida,Eiichi Mizohata,Tsuyoshi Inoue,Michio Murata +13 more
TL;DR: A newly developed calorimetric method is employed for comprehensively evaluating the affinity of FAs, sub-Angstrom X-ray crystallography to accurately determine their 3D structure, and energy calculations of the coexisting water molecules using the computer program WaterMap to gain a general understanding of how proteins recognize diverse lipids with different chain lengths.
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Interactions of gold-based drugs with proteins: crystal structure of the adduct formed between ribonuclease A and a cytotoxic gold(III) compound.
Luigi Messori,Federica Scaletti,Lara Massai,Maria Agostina Cinellu,Irene Russo Krauss,Giovanna di Martino,Alessandro Vergara,Luigi Paduano,Antonello Merlino +8 more
TL;DR: The reaction of Auoxo6, a dinuclear gold(III) complex, with the model protein bovine pancreatic ribonuclease is explored here by X-ray diffraction and ESI mass spectrometry to provide clues on the processes of adduct formation and of enzyme inhibition and on the likely mode of action of this metallodrug.
References
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Journal ArticleDOI
The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI
Crystal structure refinement with SHELXL
TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
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Coot: model-building tools for molecular graphics.
Paul Emsley,Kevin Cowtan +1 more
TL;DR: CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics.
Journal ArticleDOI
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.
Journal ArticleDOI
Phaser crystallographic software
Airlie J. McCoy,Ralf W. Grosse-Kunstleve,Paul D. Adams,Martyn Winn,Laurent C. Storoni,Randy J. Read +5 more
TL;DR: A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing.