Citations
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X-ray analysis of a complex of Escherichia coli uracil DNA glycosylase (EcUDG) with a proteinaceous inhibitor. The structure elucidation of a prokaryotic UDG
R. Ravishankar,M. Bidya Sagar,Mamannamana Vijayan,Sudipta Raha Roy,Kedar Purnapatre,Priya Handa,Umesh Varshney +6 more
TL;DR: Ec UDG could serve as a prototype for UDGs from pathogenic prokaryotes, and provide a framework for possible drug development against such pathogens with emphasis on features of the molecule that differ from those in the human enzyme.
Journal ArticleDOI
SUPERIMPOSE– a program for the unambiguous structural superposition of spatially related molecules, including macromolecules
TL;DR: In this article, a cyclic procedure integrating structure-factor calculation, least-squares refinement and 2Fo-Fc Fourier synthesis is used to obtain the best solution by proper figures of merit (FOM's).
Journal ArticleDOI
Half a century of Ramachandran plots
TL;DR: In the present review, some of the most relevant aspects of this fifty-year history are summarized, from the original ideas of Gopalasamudram Narayana Ramachandran to subsequent revisions and to applications in structural biology.
Journal ArticleDOI
Improving Radiation-Damage Substructures for Rip.
TL;DR: Downscaling proved to be necessary for the solution of elastase, lysozyme and thaumatin and reduced the number of SHELXE iterations in the other cases, and the combination of downscaling and substructure iteration provides important benefits for the phasing of macromolecular structures using radiation damage.
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Thermoelectric transport properties of CaMg 2 Bi 2 , EuMg 2 Bi 2 , and YbMg 2 Bi 2
Andrew F. May,Michael A. McGuire,David J. Singh,Jie Ma,Olivier Delaire,Ashfia Huq,Wei Cai,Hsin Wang +7 more
TL;DR: In this article, the authors investigated the thermoelectric transport properties of polycrystalline samples of the same empirical formula and synthesized polycrystaline samples with different carrier densities for the CaAl, EuMg and YbMg structures.
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.