Citations
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Reduction and analysis of SANS and USANS data using IGOR Pro
TL;DR: A graphical interface has been developed to visualize and quickly reduce raw SANS and USANS data into one- or two-dimensional formats for interpretation, allowing users to contribute code and models for distribution to all users.
Journal ArticleDOI
Likelihood-enhanced fast translation functions.
TL;DR: It is shown here how linear and quadratic Taylor-series expansions and least-squares approximations of the maximum-likelihood translation function lead to likelihood-enhanced translation functions, which can be calculated by FFT and which are more sensitive to the correct translation than the traditional correlation-coefficient fast translation function.
Journal ArticleDOI
Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Beili Wu,Ellen Y.T. Chien,Clifford D. Mol,Gustavo Fenalti,Wei Liu,Vsevolod Katritch,Ruben Abagyan,Alexei Brooun,Peter A. Wells,F. Christopher Bi,Damon J. Hamel,Peter Kuhn,Tracy M. Handel,Vadim Cherezov,Raymond C. Stevens +14 more
TL;DR: Five independent crystal structures of CXCR4 bound to an antagonist small molecule IT1t and a cyclic peptide CVX15 at 2.5 to 3.2 angstrom resolution reveal a consistent homodimer with an interface including helices V and VI that may be involved in regulating signaling.
Journal ArticleDOI
Maximum-likelihood density modification
TL;DR: A likelihood-based density modification approach is developed that can incorporate expected electron-density information from a wide variety of sources.
Journal ArticleDOI
BAR domains as sensors of membrane curvature: the amphiphysin BAR structure
Brian J. Peter,Helen M. Kent,Ian G. Mills,T. Yvonne Vallis,P. Jonathan G. Butler,Philip R. Evans,Harvey T. McMahon +6 more
TL;DR: The structure of the Drosophila amphiphysin BAR domain is solved and it is predicted that BAR domains are in many protein families, including sorting nexins, centaurins, and oligophrenins.
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.
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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.