[NMR paper] Integrated NMR-crystallography-computational approach for molecular recognition studies of human Galphai3 protein by a small molecule inhibitor
The small molecule IGGi-11 targets G?i subunits of heterotrimeric guanine nucleotide-binding proteins. G? subunits are activated by G-protein-coupled receptors in response to extracellular stimuli by accelerating the exchange of GDP for GTP, but they are also activated by intracellular proteins like GIV, of which elevated levels correlate with increased cell migration and cancer metastasis. IGGi-11 disrupts the interaction of G?i proteins with GIV and inhibits pro-invasive traits of metastatic...
[NMR paper] NMR and computational studies reveal novel aspects in molecular recognition of unsaturated fatty acids with non-labeled serum albumin
NMR and computational studies reveal novel aspects in molecular recognition of unsaturated fatty acids with non-labeled serum albumin
An approach based on the combined use of saturation transfer difference (STD), Tr-NOESY and Inter-ligand NOEs for PHArmacophore Mapping (INPHARMA) NMR techniques and docking calculations is reported, for the first time, for mapping interactions and specific binding sites of caproleic acid (10:1 cis-9), oleic acid (18:1 cis-9), linoleic acid (18:2 cis-9,12) and linolenic (18:3, cis-9,12,15) free fatty acids (FFAs) with non-labeled serum albumin (BSA/HSA)....
[NMR paper] Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
J Med Chem. 2017 12 28;60(24):10056-10070
Authors: Di Lello P, Pastor R, Murray JM, Blake RA, Cohen F, Crawford TD, Drobnick J, Drummond J, Kategaya L, Kleinheinz T, Maurer T,...
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Small Molecule and Peptide Recognition of ProteinTransmembrane Domains
Small Molecule and Peptide Recognition of ProteinTransmembrane Domains
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.6b00909/20170403/images/medium/bi-2016-009092_0009.gif
Biochemistry
DOI: 10.1021/acs.biochem.6b00909
http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/bichaw/~4/8lmbyGxtItc
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[NMR paper] Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
J Med Chem. 2015 Nov 24;
Authors: Arntson KE, Pomerantz WC
Abstract
The 19F isotope is 100% naturally abundant and is the second most sensitive and stable NMR-active nucleus. Unlike the ubiquitous hydrogen atom, fluorine is nearly absent in biological systems, making it a unique bioorthogonal atom for probing molecular interactions in biology. Over 73...
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[NMR paper] TROSY NMR with a 52 kDa sugar transport protein and the binding of a small-molecule inhibitor.
TROSY NMR with a 52 kDa sugar transport protein and the binding of a small-molecule inhibitor.
Related Articles TROSY NMR with a 52 kDa sugar transport protein and the binding of a small-molecule inhibitor.
Mol Membr Biol. 2014 May 7;
Authors: Kalverda AP, Gowdy J, Thompson GS, Homans SW, Henderson PJ, Patching SG
Abstract
Abstract Using the sugar transport protein, GalP, from Escherichia coli, which is a homologue of human GLUT transporters, we have overcome the challenges for achieving high-resolution - and -methyl-TROSY NMR...
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05-09-2014 07:01 PM
[NMR paper] NMR structure of a complex between MDM2 and a small molecule inhibitor.
NMR structure of a complex between MDM2 and a small molecule inhibitor.
Related Articles NMR structure of a complex between MDM2 and a small molecule inhibitor.
J Biomol NMR. 2004 Oct;30(2):163-73
Authors: Fry DC, Emerson SD, Palme S, Vu BT, Liu CM, Podlaski F
MDM2 is a regulator of cell growth processes that acts by binding to the tumor suppressor protein p53 and ultimately restraining its activity. While inactivation of p53 by mutation is commonly observed in human cancers, a substantial percentage of tumors express wild type p53. In many of...
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[NMR paper] Toward an integrated model of protein-DNA recognition as inferred from NMR studies on
Toward an integrated model of protein-DNA recognition as inferred from NMR studies on the Lac repressor system.
Related Articles Toward an integrated model of protein-DNA recognition as inferred from NMR studies on the Lac repressor system.
Chem Rev. 2004 Aug;104(8):3567-86
Authors: Kalodimos CG, Boelens R, Kaptein R
Integrated NMR-crystallography-computational approach for molecular recognition studies of human Galphai3 protein by a small molecule inhibitor
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