Citations
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Small-angle scattering and its interplay with crystallography, contrast variation in SAXS and SANS.
TL;DR: Methods of contrast variation are tools that are essential in macromolecular structure research and recent attempts to extend this method to native resonant labels like sulfur and phosphorus are promising.
Journal ArticleDOI
Macromolecular ab initio phasing enforcing secondary and tertiary structure
TL;DR: Small model fragments and local folds are exploited at resolutions up to 2 Å in different contexts, from supercomputers to the standalone ARCIMBOLDO_LITE, which solves straightforward cases on a single multicore machine.
Journal ArticleDOI
Scanning X-ray strain microscopy of inhomogeneously strained Ge micro-bridges.
Tanja Etzelstorfer,Martin J. Süess,Martin J. Süess,Gustav Schiefler,Vincent Jacques,Dina Carbone,Daniel Chrastina,Giovanni Isella,Ralph Spolenak,Julian Stangl,Hans Sigg,Ana Diaz +11 more
TL;DR: A scanning X-ray strain microscopy technique using a micro-focused beam is demonstrated and it is shown that this technique can be used to study the relationship between X-rays and strain levels in the EMT setting.
Journal ArticleDOI
Model of separated form factors for unilamellar vesicles
TL;DR: In this article, a new model of separated form factors was proposed for the evaluation of small-angle neutron scattering curves from large unilamellar vesicles, and the validity of the model was checked by comparison to the model of a hollow sphere.
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Utilization of Nitrophenylphosphates and Oxime-Based Ligation for the Development of Nanomolar Affinity Inhibitors of the Yersinia Pestis Outer Protein H (Yoph) Phosphatase.
Medhanit Bahta,George T. Lountos,Beverly Dyas,Sung-Eun Kim,Robert G. Ulrich,David S. Waugh,Terrence R. Burke +6 more
TL;DR: The first K(M) optimization of a library of nitrophenylphosphate-containing substrates for generating an inhibitor lead against the Yersinia pestis outer protein phosphatase (YopH) is reported, with good YopH selectivity relative to a panel of phosphatases.
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.
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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.