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
Biosynthesis of Violacein, Structure and Function of l-Tryptophan Oxidase VioA from Chromobacterium violaceum
Janis Fuller,René Röpke,Joern Krausze,Kim E. Rennhack,Nils P. Daniel,Wulf Blankenfeldt,Stefan Schulz,Dieter Jahn,Jürgen Moser +8 more
TL;DR: The combined structural and mutational analyses lead to the detailed understanding of VioA substrate recognition and strategies for the in vivo synthesis of novel violacein derivatives.
Journal ArticleDOI
The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Justin Hall,Erik C. Ralph,Suman Shanker,Hong Wang,Laura J. Byrnes,Reto Horst,Jimson Wong,Amy Brault,Darren Dumlao,James F. Smith,Leslie Anthony Dakin,Daniel C. Schmitt,John I. Trujillo,Fabien Vincent,Matt Griffor,Ann Aulabaugh +15 more
TL;DR: Mechanistic studies of cGAS provide the first kinetic constants for 2′,3′‐cGAMP formation, and interestingly, describe a catalytic mechanism where 2‐2′, 3′‐ cGAMP may be a minor product ofcGAS compared with linear nucleotides.
Journal ArticleDOI
The bacterial antitoxin HipB establishes a ternary complex with operator DNA and phosphorylated toxin HipA to regulate bacterial persistence
Yurong Wen,Ester Behiels,Jan Felix,Jonathan Elegheert,Bjorn Vergauwen,Bart Devreese,Savvas N. Savvides +6 more
TL;DR: The studies suggest that the phosphorylation state of HipA is an important factor in persistence and that the structural and mechanistic diversity of HipAB modules as regulatory factors in bacterial persistence is broader than previously thought.
Journal ArticleDOI
Small-angle scattering and 3D structure interpretation.
TL;DR: This review focuses on advances in the application of solution small-angle scattering in structural analysis of biomolecules and the complexes they form using both X-rays and neutrons in hybrid or integrative modelling methods.
Journal ArticleDOI
Functional characterization and oligomerization of a recombinant xyloglucan-specific endo-β-1,4-glucanase (GH12) from Aspergillus niveus.
André Damasio,Liliane Fraga Costa Ribeiro,Lucas Ferreira Ribeiro,Gilvan Pessoa Furtado,Fernando Segato,Fausto Almeida,Augusto Cesar Crivellari,Marcos Silveira Buckeridge,Tatiana de Arruda Campos Brasil de Souza,Mário T. Murakami,Richard J. Ward,Rolf A. Prade,Maria de Lourdes Teixeira de Moraes Polizeli +12 more
TL;DR: The far-UV CD spectrum of the purified enzyme indicated a protein rich in β-sheet structures as expected for GH12 xyloglucanases, and enzymatic assays demonstrated that XegA is more active in its monomeric state.
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.