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
Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models
TL;DR: A method for the efficient calculation of accurate SAXS curves from coarse-grained protein models based on the Debye formula and a set of scattering form factors for dummy atom representations of amino acids shows great promise for use in statistical inference of protein structures fromSAXS data.
Journal ArticleDOI
Fibrillin-1 mutations causing Weill-Marchesani syndrome and acromicric and geleophysic dysplasias disrupt heparan sulfate interactions.
TL;DR: It is shown that the corresponding region of fibrillin-2 binds heparin very poorly, highlighting a novel functional difference between the two isoforms, and providing insights into the biology offibrillins and the pathologies of WMS, AD and GD.
Posted ContentDOI
Selection, biophysical and structural analysis of synthetic nanobodies that effectively neutralize SARS-CoV-2
Tânia Filipa Custódio,Hrishikesh Das,Daniel J. Sheward,Daniel J. Sheward,Leo Hanke,Samuel Pazicky,Joanna Pieprzyk,M. Sorgenfrei,Martin A. Schroer,Andrey Yu. Gruzinov,Cy M. Jeffries,Melissa A. Graewert,Dmitri I. Svergun,Nikolay Dobrev,Kim Remans,Markus A. Seeger,Gerald M. McInerney,Ben Murrell,B. M. Hällberg,Christian Löw +19 more
TL;DR: The rapid isolation and characterization of nanobodies from a synthetic library, known as sybodies (Sb), that target the receptor-binding domain (RBD) of the SARS-CoV-2 spike protein revealed a novel conformation of the spike where two RBDs are in the ‘up’ ACE2-binding conformation.
Journal ArticleDOI
Functional Dynamics Revealed by the Structure of the SufBCD Complex, a Novel ATP-binding Cassette (ABC) Protein That Serves as a Scaffold for Iron-Sulfur Cluster Biogenesis *
Kei Hirabayashi,Kei Hirabayashi,Eiki Yuda,Naoyuki Tanaka,Sumie Katayama,Kenji Iwasaki,Takashi Matsumoto,Genji Kurisu,F. Wayne Outten,Keiichi Fukuyama,Yasuhiro Takahashi,Kei Wada +11 more
TL;DR: The first crystal structure of the Escherichia coli SufBCD complex is determined, which exhibits the common architecture of ABC proteins: two ABC ATPase components with function-specific components (SufB-SufD protomers).
Journal ArticleDOI
High-resolution wide-angle X-ray scattering of protein solutions: effect of beam dose on protein integrity.
Robert F. Fischetti,Diane J. Rodi,Ahmed Mirza,Thomas C. Irving,Elena Kondrashkina,Lee Makowski +5 more
TL;DR: Various data-collection protocols have been investigated demonstrating conditions under which structural degradation of even sensitive proteins can be minimized, making this technique a viable tool for protein fold categorization, the study of protein folding, unfolding, protein-ligand interactions and domain movement.
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.