Related ArticlesThe inter-ligand Overhauser effect: a powerful new NMR approach for mapping structural relationships of macromolecular ligands.
J Biomol NMR. 1999 Sep;15(1):71-6
Authors: Li D, DeRose EF, London RE
NMR experiments that transfer conformational information from the bound to the uncomplexed state via exchange have been utilized for many years. It is demonstrated here that inter-ligand NOEs ('ILOEs'), which exist in ternary complexes with enzymes or other macromolecular receptors, can be transferred via exchange to pairs of uncomplexed ligands. This approach is illustrated by studies of glycolate + NAD+ in the presence of porcine heart lactate dehydrogenase, and by glucose-6-phosphate + NADPH in the presence of L. mesenteroides glucose-6-phosphate dehydrogenase. This strategy opens up a general methodology for exploring the active sites of enzymes and for the development of artificial ligands which can function as inhibitors, or more generally as modifiers of protein function.
Protein-ligand docking guided by ligand pharmacophore-mapping experiment by NMR.
Protein-ligand docking guided by ligand pharmacophore-mapping experiment by NMR.
Protein-ligand docking guided by ligand pharmacophore-mapping experiment by NMR.
J Mol Graph Model. 2011 Sep 3;
Authors: Fukunishi Y, Mizukoshi Y, Takeuchi K, Shimada I, Takahashi H, Nakamura H
Abstract
We developed a new protein-ligand docking calculation method using experimental NMR data. Recently, we proposed a novel ligand epitope-mapping experiment, which utilizes the difference between the longitudinal relaxation rates of ligand protons with and...
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09-24-2011 04:11 PM
[NMR paper] Biochemical and NMR mapping of the interface between CREB-binding protein and ligand
Biochemical and NMR mapping of the interface between CREB-binding protein and ligand binding domains of nuclear receptor: beyond the LXXLL motif.
Related Articles Biochemical and NMR mapping of the interface between CREB-binding protein and ligand binding domains of nuclear receptor: beyond the LXXLL motif.
J Biol Chem. 2005 Feb 18;280(7):5682-92
Authors: Klein FA, Atkinson RA, Potier N, Moras D, Cavarelli J
CBP, cAMP-response element-binding protein (CREB)-binding protein, plays an important role as a general cointegrator of various signaling...
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[NMR paper] Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D Q
Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System.
Related Articles Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System.
J Chem Inf Comput Sci. 2004 Jul-Aug;44(4):1456-65
Authors: Yao H, Costache AD, Sem DS
Chemical proteomic strategies strive to probe and understand protein-ligand interactions across gene families. One gene family of particular interest in drug and xenobiotic...
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11-24-2010 09:51 PM
[NMR paper] NMR-based metabolomics: a powerful approach for characterizing the effects of environ
NMR-based metabolomics: a powerful approach for characterizing the effects of environmental stressors on organism health.
Related Articles NMR-based metabolomics: a powerful approach for characterizing the effects of environmental stressors on organism health.
Environ Sci Technol. 2003 Nov 1;37(21):4982-9
Authors: Viant MR, Rosenblum ES, Tieerdema RS
It is important to assess the chronic effects of chemical, physical, and biological stressors on organisms in the environment. Appropriate methods must enable rapid, inexpensive, and...
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11-24-2010 09:16 PM
[NMR paper] Synthesis of [3,4-(13)c(2)]-enriched bile salts as NMR probes of protein-ligand inter
Synthesis of -enriched bile salts as NMR probes of protein-ligand interactions.
Related Articles Synthesis of -enriched bile salts as NMR probes of protein-ligand interactions.
J Org Chem. 2002 Sep 20;67(19):6764-71
Authors: Tochtrop GP, DeKoster GT, Cistola DP, Covey DF
Synthetic methodology that allows for incorporation of isotopic carbon at the C-3 and C-4 positions of bile salts is reported. Three -enriched bile salts were synthesized from either deoxycholic or lithocholic acid. The steroid 3alpha-OH group was oxidized and the A-ring was...
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[NMR paper] Epitope mapping of ligand-receptor interactions by diffusion NMR.
Epitope mapping of ligand-receptor interactions by diffusion NMR.
Related Articles Epitope mapping of ligand-receptor interactions by diffusion NMR.
J Am Chem Soc. 2002 Aug 28;124(34):9984-5
Authors: Yan J, Kline AD, Mo H, Zartler ER, Shapiro MJ
A novel method based on diffusion NMR for the epitope mapping of ligand binding is presented. The intermolecular NOE builds up during a long diffusion period and creates a deviation from the linearity. The ligand proton nearest the protein generates the strongest NOE from protein during the diffusion...
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[NMR paper] Transferred nuclear Overhauser effect study of the C-terminal helix of yeast phosphog
Transferred nuclear Overhauser effect study of the C-terminal helix of yeast phosphoglycerate kinase: NMR solution structure of the C-terminal bound peptide.
Related Articles Transferred nuclear Overhauser effect study of the C-terminal helix of yeast phosphoglycerate kinase: NMR solution structure of the C-terminal bound peptide.
Biochemistry. 1995 Jan 24;34(3):842-6
Authors: Andrieux M, Leroy E, Guittet E, Ritco-Vonsovici M, Mouratou B, Minard P, Desmadril M, Yon JM
Two-dimensional 1H nuclear magnetic resonance spectroscopy is used to...
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[NMR paper] A 31P-NMR spin-lattice relaxation and 31P[1H] nuclear Overhauser effect study of soni
A 31P-NMR spin-lattice relaxation and 31P nuclear Overhauser effect study of sonicated small unilamellar phosphatidylcholine vesicles.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles A 31P-NMR spin-lattice relaxation and 31P nuclear Overhauser effect study of sonicated small unilamellar phosphatidylcholine vesicles.
Biochim Biophys Acta. 1992 Feb 17;1104(1):137-46
Authors: Tauskela JS, Thompson M
The motional properties of the inner and outer monolayer headgroups of...