Citations
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Journal ArticleDOI
A short history of SHELX
TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
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.
Journal ArticleDOI
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.
References
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Journal ArticleDOI
Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs : biological implications of structural plasticity and variability in quaternary association
Kayarat Saikrishnan,G.P. Manjunath,Pawan Singh,Jeyaraman Jeyakanthan,Zbigniew Dauter,Kanagaraj Sekar,Kalappa Muniyappa,Mamannamana Vijayan +7 more
TL;DR: The structure of Mycobacterium smegmatis single-stranded DNA-binding protein (SSB) has been determined using three data sets collected from related crystals.
Journal ArticleDOI
Solution of protein crystallographic structures by high-pressure cryocooling and noble-gas phasing.
TL;DR: In this article, a modified Kr-He high-pressure cyrocooling procedure is described wherein crystals are first pressurized with krypton gas to 10 MPa for 1 h. The kryptone pressure is then released and the crystals are repressurized with helium over 150 MPa and cooled to liquid-nitrogen temperatures.
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The structure of Rv3717 reveals a novel amidase from Mycobacterium tuberculosis
Atul Kumar,Sanjiv Kumar,Dilip Kumar,Arpit Mishra,Rikeshwer Prasad Dewangan,Priyanka Shrivastava,Srinivasan Ramachandran,Bhupesh Taneja +7 more
TL;DR: The structure of Rv3717 determined to 1.7 Å resolution by Pt-SAD phasing reveals a unique autolysin that lacks a cell-wall-binding domain and utilizes a β-hairpin turn at its N-terminus to autoregulate its enzymatic activity.
Journal ArticleDOI
Mapping the conformational space accessible to catechol-O-methyltransferase.
TL;DR: Crystal structures of mouse, rat and human catechol-O-methyltransferase were determined in apo, semi-holo, holo and Michaelis forms under a variety of conditions, testifying to why this enzyme is a difficult drug target.
Journal ArticleDOI
An editor for the generation and customization of geometry restraints.
TL;DR: REEL is a restraints editor that provides quick, easy and accurate development, allowing global changes and fine-tuning of individual restraints.