[NMR paper] Exploring Multi-Subsite Binding Pockets in Proteins: DEEP-STD NMR Fingerprinting and Molecular Dynamics Unveil a Cryptic Subsite at the GM1 Binding Pocket of Cholera Toxin B.
Exploring Multi-Subsite Binding Pockets in Proteins: DEEP-STD NMR Fingerprinting and Molecular Dynamics Unveil a Cryptic Subsite at the GM1 Binding Pocket of Cholera Toxin B.
Exploring Multi-Subsite Binding Pockets in Proteins: DEEP-STD NMR Fingerprinting and Molecular Dynamics Unveil a Cryptic Subsite at the GM1 Binding Pocket of Cholera Toxin B.
Chemistry. 2020 May 25;:
Authors: Monaco S, Walpole S, Doukani H, Nepravishta R, Nepravishta R, Martínez-Bailén M, Carmona AT, Ramos-Soriano J, Bergström M, Robina I, Angulo J, Angulo J, Angulo J
...
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05-26-2020 06:36 PM
[NMR paper] NMR line shape analysis of a multi-state ligand binding mechanism in chitosanase.
NMR line shape analysis of a multi-state ligand binding mechanism in chitosanase.
Related Articles NMR line shape analysis of a multi-state ligand binding mechanism in chitosanase.
J Biomol NMR. 2017 Apr 09;:
Authors: Shinya S, Ghinet MG, Brzezinski R, Furuita K, Kojima C, Shah S, Kovrigin EL, Fukamizo T
Abstract
Chitosan interaction with chitosanase was examined through analysis of spectral line shapes in the NMR HSQC titration experiments. We established that the substrate, chitosan hexamer, binds to the enzyme through the...
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04-11-2017 04:27 PM
NMR line shape analysis of a multi-state ligand binding mechanism in chitosanase
NMR line shape analysis of a multi-state ligand binding mechanism in chitosanase
Abstract
Chitosan interaction with chitosanase was examined through analysis of spectral line shapes in the NMR HSQC titration experiments. We established that the substrate, chitosan hexamer, binds to the enzyme through the three-state induced-fit mechanism with fast formation of the encounter complex followed by slow isomerization of the bound-state into the final conformation. Mapping of the chemical shift perturbations in two sequential steps of the mechanism...
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04-10-2017 12:51 AM
[NMR paper] Analyzing protein-ligand interactions by dynamic NMR spectroscopy.
Analyzing protein-ligand interactions by dynamic NMR spectroscopy.
Related Articles Analyzing protein-ligand interactions by dynamic NMR spectroscopy.
Methods Mol Biol. 2013;1008:243-66
Authors: Mittermaier A, Meneses E
Abstract
Nuclear magnetic resonance (NMR) spectroscopy can provide detailed information on protein-ligand interactions that is inaccessible using other biophysical techniques. This chapter focuses on NMR-based approaches for extracting affinity and rate constants for weakly binding transient protein complexes with lifetimes...
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06-05-2013 06:53 PM
[NMR paper] Sensitivity improvement in 19F NMR-based screening experiments: theoretical considerations and experimental applications.
Sensitivity improvement in 19F NMR-based screening experiments: theoretical considerations and experimental applications.
Related Articles Sensitivity improvement in 19F NMR-based screening experiments: theoretical considerations and experimental applications.
J Am Chem Soc. 2005 Sep 28;127(38):13380-5
Authors: Dalvit C, Mongelli N, Papeo G, Giordano P, Veronesi M, Moskau D, Kümmerle R
NMR-based binding and functional screening performed with FAXS (fluorine chemical shift anisotropy and exchange for screening) and 3-FABS (three fluorine atoms...
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12-01-2010 06:56 PM
[NMR paper] Theoretical and computational advances in biomolecular NMR spectroscopy.
Theoretical and computational advances in biomolecular NMR spectroscopy.
Related Articles Theoretical and computational advances in biomolecular NMR spectroscopy.
Curr Opin Struct Biol. 2002 Apr;12(2):146-53
Authors: Clore GM, Schwieters CD
Recent developments in experimental and computational aspects of NMR spectroscopy have had a significant impact on the accuracy and speed of macromolecular structure determination in solution, particularly with regard to systems of high complexity (such as protein complexes). These include experiments...
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11-24-2010 08:49 PM
[NMR paper] NMR analysis of site-specific ligand binding in oligomeric proteins. Dynamic studies
NMR analysis of site-specific ligand binding in oligomeric proteins. Dynamic studies on the interaction of riboflavin synthase with trifluoromethyl-substituted intermediates.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles NMR analysis of site-specific ligand binding in oligomeric proteins. Dynamic studies on the interaction of riboflavin synthase with trifluoromethyl-substituted intermediates.
Biochemistry. 1996 Jul 30;35(30):9637-46
Authors: Scheuring J, Fischer M, Cushman M, Lee J, Bacher A,...
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08-22-2010 02:20 PM
[NMR paper] Structures of larger proteins, protein-ligand and protein-DNA complexes by multi-dime
Structures of larger proteins, protein-ligand and protein-DNA complexes by multi-dimensional heteronuclear NMR.
Related Articles Structures of larger proteins, protein-ligand and protein-DNA complexes by multi-dimensional heteronuclear NMR.
Prog Biophys Mol Biol. 1994;62(2):153-84
Authors: Clore GM, Gronenborn AM
Analyzing multi-step ligand binding reactions for oligomeric proteins by NMR: theoretical and computational considerations
Linear Mode
