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
Three-dimensional structure of the type III secretion chaperone SycE from Yersinia pestis.
TL;DR: The cytotoxic effector YopE, a selective activator of mammalian Rho-family GTPases, associates with SycE, which possesses a novel fold with an unusual dimerization motif and an intriguing basic cavity located on the dyad axis of the dimer that may participate in its interaction with Yop E.
Journal ArticleDOI
New methods for indexing multi-lattice diffraction data
Richard J. Gildea,David G. Waterman,James M. Parkhurst,Danny Axford,Geoff Sutton,David I. Stuart,Nicholas K. Sauter,Gwyndaf Evans,Graeme Winter +8 more
TL;DR: A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of data, and the efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi- latticeData recorded from microcrystals of ∼1 µm in size.
Journal ArticleDOI
Structural basis of SUFU–GLI interaction in human Hedgehog signalling regulation
A.L. Cherry,C. Finta,M. Karlstrom,Qianren Jin,Thomas Schwend,Juan Astorga-Wells,Roman A. Zubarev,M. Del Campo,Angela Criswell,Daniele de Sanctis,Luca Jovine,R. Toftgard +11 more
TL;DR: Crystal and small-angle X-ray scattering structures of full-length human SUFU alone and in complex with the conserved SYGHL motif from GLI transcription factors show major conformational changes associated with binding and reveal an intrinsically disordered region crucial for pathway activation.
Journal ArticleDOI
Structural basis for the broad specificity of a new family of amino-acid racemases
Akbar Espaillat,César Carrasco-López,Noelia Bernardo-García,Natalia Pietrosemoli,Lisandro H. Otero,Laura Alvarez,Miguel A. de Pedro,Florencio Pazos,Brigid M. Davis,Matthew K. Waldor,Juan A. Hermoso,Felipe Cava +11 more
TL;DR: Constant crystallographic, mutational, biochemical and bioinformatic studies were used to define the molecular features of the racemase BsrV that enable this enzyme to accommodate more diverse substrates than the related PLP-dependent alanine racemases.
Journal ArticleDOI
Dragonfly: an implementation of the expand–maximize–compress algorithm for single-particle imaging
TL;DR: A description is given of a single-particle X-ray imaging reconstruction and simulation package using the expand–maximize–compress algorithm, named Dragonfly.