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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Activation of the Retroviral Budding Factor ALIX
Q. Zhai,Michael B. Landesman,Hyo Young Chung,Adam Dierkers,Cy M. Jeffries,Jill Trewhella,Christopher P. Hill,Wesley I. Sundquist +7 more
TL;DR: It is reported that the C-terminal proline-rich region (PRR) of ALIX folds back against the upstream domains and auto-inhibits V domain binding to viral late domains, supporting a model in which ALIX activation requires dissociation of the autoinhibitory PRR and opening of the V domain arms.
Journal ArticleDOI
Molecular Insights into Human Serum Albumin as a Receptor of Amyloid-β in the Extracellular Region
TL;DR: HSA is capable of controlling metal-free and metal-bound Aβ aggregation and aiding the cellular transportation of Aβ via Aβ-HSA complexation, and advance knowledge of how protein-protein interactions associated with Aβ and metal ions could be linked to AD pathogenesis.
Journal ArticleDOI
Segmental, Domain-Selective Perdeuteration and Small-Angle Neutron Scattering for Structural Analysis of Multi-Domain Proteins.
Miriam Sonntag,Pravin Kumar Ankush Jagtap,Bernd Simon,Marie-Sousai Appavou,Arie Geerlof,Ralf Stehle,Frank Gabel,Janosch Hennig,Michael Sattler +8 more
TL;DR: It is shown that domain-selective perdeuteration combined with contrast-matched small-angle neutron scattering (SANS), SAXS and computational modeling provides valuable information to precisely define relative domain arrangements in RBP TIA-1.
Journal ArticleDOI
Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2
Jonathan R. LaRochelle,Michelle Fodor,Xiang Xu,Izabela Durzynska,Lixin Fan,Travis Stams,Ho Man Chan,Matthew J. LaMarche,Rajiv Chopra,Ping Wang,Pascal D. Fortin,Michael G. Acker,Stephen C. Blacklow +12 more
TL;DR: X-ray crystallography, small-angle X-ray scattering, and biochemistry are combined to elucidate structural and mechanistic features of three cancer-associated SHP2 variants harboring single point mutations within the N-SH2:PTP interdomain autoinhibitory interface.
Journal ArticleDOI
Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli
Phat Vinh Dip,Neelagandan Kamariah,Malathy Sony Subramanian Manimekalai,Wilson Nartey,Asha Manikkoth Balakrishna,Frank Eisenhaber,Birgit Eisenhaber,Gerhard Grüber +7 more
TL;DR: A novel overall mechanistic model of AhpR as a hydroperoxide scavenger is suggested, in which the dimeric, extended AhpF prefers complex formation with the AhpC ring to accelerate the catalytic activity and thus to increase the chance of rescuing the cell from ROS.
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.