Citations
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Synthesis, structures and hydrogen storage properties of two new H-enriched compounds: Mg(BH4)2(NH3BH3)2 and Mg(BH4)2·(NH3)2(NH3BH3).
TL;DR: The synthesis, crystal structure and dehydrogenation performances of two new H-enriched compounds, Mg(BH4)2(NH3BH3)2 and Mg (BH 4)2·(NH 3)2 (NH3 BH3), are reported.
Journal ArticleDOI
Reintroducing electrostatics into protein X-ray structure refinement: bulk solvent treated as a dielectric continuum.
TL;DR: Multiple simulated-annealing refinements were performed in torsion-angle space with a conventional target function and the new GB target function, yielding ensembles of refined structures of similar accuracy, as measured by the free R factor, map/model correlations and deviations from the high-resolution structures.
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Characterization of PROPPIN-Phosphoinositide Binding and Role of Loop 6CD in PROPPIN-Membrane Binding
TL;DR: A model forPROPPIN-membrane binding is proposed in which PROPPINs are initially targeted to membranes through nonspecific electrostatic interactions and are then retained at the membrane through PIP binding.
Journal ArticleDOI
Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
Kazuya Hasegawa,Keitaro Yamashita,Tomohiro Murai,Nipawan Nuemket,Kunio Hirata,Go Ueno,Hideo Ago,Toru Nakatsu,Takashi Kumasaka,Masaki Yamamoto +9 more
TL;DR: The best practice for dose-limiting serial synchrotron rotation crystallography was examined through anomalous signal and single-wavelength anomalous diffraction phasing of mercury-bound luciferin regenerating enzyme.
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Synthesis, characterization and antimicrobial investigation of mechanochemically processed silver doped ZnO nanoparticles.
TL;DR: It was observed that Ag doped ZnO nanoparticles possess enhanced antimicrobial potential than that of virgin ZNO against the studied microorganisms of Escherichia coli and Staphylococcus aureus.
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.
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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.