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
Investigation of the Initial Crystallization Stage in Lysozyme Solutions by Small-Angle X-ray Scattering
Mikhail V. Kovalchuk,Mikhail V. Kovalchuk,Mikhail V. Kovalchuk,A. E. Blagov,A. E. Blagov,Yulia A. Dyakova,Yulia A. Dyakova,Andrey Yu. Gruzinov,M. A. Marchenkova,M. A. Marchenkova,Georgy S. Peters,Yury Pisarevsky,Yury Pisarevsky,Vladimir I. Timofeev,Vladimir I. Timofeev,Vladimir Volkov,Vladimir Volkov +16 more
TL;DR: From the base structure of tetragonal lysozyme crystals, the octamer cluster was selected as the possible element of crystal growth as mentioned in this paper, and the proposed model was verified by small-angle X-ray scattering (SAXS) measurements of Lysozyme solutions.
Journal ArticleDOI
Biochemical and biophysical properties of a highly active recombinant arginase from Leishmania (Leishmania) amazonensis and subcellular localization of native enzyme.
Edson Roberto da Silva,Maria Fernanda Laranjeira da Silva,Hannes Fischer,Renato A. Mortara,Mario Gustavo Mayer,Karine Framesqui,Ariel Mariano Silber,Lucile Maria Floeter-Winter +7 more
TL;DR: The determined structural parameters provide substantial data to facilitate the search for selective inhibitors of parasitic sources of arginase, which could subsequently point to a candidate for leishmaniasis therapy.
Journal ArticleDOI
Crystal structure of a transfer-ribonucleoprotein particle that promotes asparagine formation
Mickaël Blaise,Marc Bailly,Mathieu Frechin,Manja A. Behrens,Frédéric Fischer,Cristiano L. P. Oliveira,Hubert Dominique Becker,Jan Skov Pedersen,Søren Thirup,Daniel Kern +9 more
TL;DR: It is proposed that the crystal structure of the Thermus thermophilus transamidosome represents a transient state of the transamidation reaction, in which tRNAs serve the function of both substrate and structural foundation for a large molecular machine.
Journal ArticleDOI
Human serum albumin binding ibuprofen: a 3D description of the unfolding pathway in urea.
TL;DR: Small angle X-ray scattering (SAXS) technique allowed us to restore the 3D structure at low resolution of defatted human serum albumin (HSA) in interaction with ibuprofen, representing a type of analysis which could be exploited in future investigations on proteins in solution, in the binding of drugs or endogenous compounds and in the pharmacokinetic properties
Journal ArticleDOI
Interplay of Protein Disorder in Retinoic Acid Receptor Heterodimer and Its Corepressor Regulates Gene Expression
Tiago N. Cordeiro,Tiago N. Cordeiro,Nathalie Sibille,Pierre Germain,Philippe Barthe,Abdel Boulahtouf,Frédéric Allemand,Rémy Bailly,Valérie Vivat,Christine Ebel,Alessandro Barducci,William Bourguet,Albane le Maire,Pau Bernadó +13 more
TL;DR: It is shown that structural dynamics of RAR and RXR H12 regions is an essential mechanism for RAR regulation and that, while mainly disordered, the corepressor N-CoR presents evolutionary conserved structured regions involved in transient intramolecular contacts.
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.