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
Structure and regulation of human epithelial cell transforming 2 protein.
Mengran Chen,Han Pan,Lingfei Sun,Peng Shi,Yikan Zhang,Le Li,Yuxing Huang,Jianhui Chen,Peng Jiang,Xianyang Fang,Congying Wu,Zhucheng Chen +11 more
TL;DR: The crystal structure of human ECT2 is determined and the mechanisms of Ect2 regulation, including autoinhibition and allosteric activation, are illustrated, which suggests a positive-feedback loop in RhoA signaling.
Journal ArticleDOI
Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa
Chong Liu,Chong Wai Liew,Yee Hwa Wong,Siok Thing Tan,Wee Han Poh,Malathy Sony Subramanian Manimekalai,Sreekanth Rajan,Lingyi Xin,Zhao-Xun Liang,Gerhard Grüber,Scott A. Rice,Julien Lescar +11 more
TL;DR: It is proposed that local conformational changes in cRbdA upon GTP binding lead to a structure with the PAS domain and S-helix shifted away from the GGDEF-EAL domains, as suggested by small-angle X-ray scattering (SAXS) experiments, which may assist in the development of small molecules that promote bacterial biofilm dispersal.
Journal ArticleDOI
Self-Organization of FtsZ Polymers in Solution Reveals Spacer Role of the Disordered C-Terminal Tail
Sonia Huecas,Erney Ramírez-Aportela,Albert Vergoñós,Rafael Núñez-Ramírez,Oscar Llorca,J. Fernando Díaz,David Juan-Rodríguez,María A. Oliva,Patricia Castellen,Patricia Castellen,José Manuel Andreu +10 more
TL;DR: N nanoscale self-organizing properties of FtsZ assemblies in solution that underlie Z-ring assembly are described, employing time-resolved x-ray scattering and cryo-electron microscopy and it is proposed that the linker prevents dynamic Fts Z protofilaments in bundles from sticking to one another, holding them apart at a distance similar to the lateral spacing observed by electron cryotomography in several bacteria and liposomes.
Journal ArticleDOI
Synergy, structure and conformational flexibility of hybrid cellulosomes displaying various inter-cohesins linkers.
Anne-Laure Molinier,Matthieu Nouailler,Matthieu Nouailler,Odile Valette,Chantal Tardif,Chantal Tardif,Véronique Receveur-Bréchot,Henri-Pierre Fierobe +7 more
TL;DR: The present study reveals that complexation onto the hybrid scaffoldins modifies the type of soluble sugars released from crystalline cellulose by the selected cellulases, compared to the free enzyme system.
Journal ArticleDOI
Bayesian inference of protein conformational ensembles from limited structural data
TL;DR: A method based on Bayesian statistics that infers conformational ensembles from a structural library generated by all-atom Monte Carlo simulations and it is shown that the data from SAXS, NMR chemical shifts and energies calculated from conformers can work synergistically to improve the definition of the conformational ensemble.
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.