Journal ArticleDOI
CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TLDR
In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.Abstract:
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell. Given the atomic coordinates (e.g. from the Brookhaven Protein Data Bank) it can either predict the solution scattering curve or fit the experimental scattering curve using only two free parameters, the average displaced solvent volume per atomic group and the contrast of the hydration layer. The program runs on IBM PCs and on the major UNIX platforms.read more
Citations
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Journal ArticleDOI
Higher-Order Assembly of BRCC36–KIAA0157 Is Required for DUB Activity and Biological Function
Elton Zeqiraj,Lei Tian,Christopher A. Piggott,Monica C. Pillon,Nicole M. Duffy,Derek F. Ceccarelli,Alexander F.A. Keszei,Alexander F.A. Keszei,Kristina Lorenzen,Igor Kurinov,Stephen Orlicky,Gerald D. Gish,Albert J. R. Heck,Alba Guarné,Roger A. Greenberg,Frank Sicheri,Frank Sicheri +16 more
TL;DR: These data provide the first explanation of how an inactive pseudo DUB allosterically activates a cognate DUB partner, and implicates super dimerization as a new regulatory mechanism underlying BRCC36 DUB activity, subcellular localization, and biological function.
Journal ArticleDOI
Conformational dynamics modulate the catalytic activity of the molecular chaperone Hsp90.
Sophie L. Mader,Abraham Lopez,Jannis Lawatscheck,Qi Luo,Qi Luo,Daniel A. Rutz,Ana P. Gamiz-Hernandez,Ana P. Gamiz-Hernandez,Michael Sattler,Johannes Buchner,Ville R. I. Kaila,Ville R. I. Kaila +11 more
TL;DR: It is shown that the conformational switching of conserved ion pairs between the N-terminal domain, harbouring the active site, and the middle domain strongly modulates the catalytic barrier of the ATP-hydrolysis reaction by electrostatic forces.
Journal ArticleDOI
Crystal Versus Solution Structures of Thiamine Diphosphate-dependent Enzymes
TL;DR: The quaternary structures of the thiamine diphosphate-dependent enzymes transketolase, pyruvate oxidase, and pyruVate decarboxylase were examined and a clear correlation was observed between the magnitude of the distortions induced by the crystal environment and the interfacial area between subunits.
Journal ArticleDOI
Structural Model for Covalent Adhesion of the Streptococcus pyogenes Pilus through a Thioester Bond
Christian Linke-Winnebeck,Neil G. Paterson,Paul G. Young,Martin Middleditch,David R. Greenwood,Gregor Witte,Edward N. Baker +6 more
TL;DR: The crystal structure of spermidine-bound Cpa provides a model for the covalent attachment of Cpa to target receptors and thus the streptococcal pilus to host cells that mimics that used by the human complement system to eliminate pathogens.
Journal ArticleDOI
Structure validation of the Josephin domain of ataxin-3: Conclusive evidence for an open conformation
TL;DR: The use of different complementary techniques, which include Bayesian methods and small angle scattering, are discussed, which are essential for validating the two currently available structures of the Josephin domain of ataxin-3, a protein involved in the ubiquitin/proteasome pathway and responsible for neurodegenerative spinocerebellar ataxia of type 3.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
Angular Momentum in Quantum Mechanics
TL;DR: In this paper, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.
Book
Angular Momentum in Quantum Mechanics
TL;DR: In this article, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.