Citations
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Project on comparison of structural parameters and electron density maps of oxalic acid dihydrate
TL;DR: In this article, a comparison of thermal parameters, positional parameters and X - N electron density maps was made. But the results were not analyzed in detail and the differences in detail were not explained.
Journal ArticleDOI
Selective crystallization of indigo B by a modified sublimation method and its redetermined structure
TL;DR: Good-quality single crystals of the title compound, indigo B, have been prepared with high selectivity by a sublimation process and more realistic geometrical parameters and modern standards of precision are reported.
Journal ArticleDOI
Atomic resolution view into the structure-function relationships of the human myelin peripheral membrane protein P2.
Salla Ruskamo,Ravi P. Yadav,Satyan Sharma,M. Lehtimaki,Saara Laulumaa,Shweta Aggarwal,Mikael Simons,Jochen Bürck,Anne S. Ulrich,André H. Juffer,Inari Kursula,Petri Kursula +11 more
TL;DR: The structure of the human myelin peripheral membrane protein P2 has been refined at 0.93 Å resolution in combination with functional experiments in vitro, in vivo and in silico and fine details of the structure–function relationships in P2 are emerging.
Journal ArticleDOI
X-ray radiation-induced damage in DNA monitored by online Raman
TL;DR: The non-symmetric bending vibration for C-Br bonds in 8-bromo-2'-deoxyguanosine has been unambiguously identified at 293 cm(-1) in the non-resonant Raman spectra.
Journal ArticleDOI
Crystal, solution and in silico structural studies of dihydrodipicolinate synthase from the common grapevine
Sarah C. Atkinson,Con Dogovski,Matthew T. Downton,F. Grant Pearce,Cyril F. Reboul,Ashley M. Buckle,Juliet A. Gerrard,Renwick C. J. Dobson,John Wagner,Matthew A. Perugini +9 more
TL;DR: This study is the first to demonstrate using both crystal and solution state measurements that DHDPS from the grapevine plant adopts an alternative tetrameric architecture to the bacterial form, which is important for optimizing protein dynamics as suggested by molecular dynamics simulations reported in this study.
References
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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.