dear all, i am calculating a NMR structure of a protein complexed with two small ligands. I am not able to keep the right conformation of the rings of my
A rigid disulfide-linked nitroxide side chain simplifies the quantitative analysis of PRE data
A rigid disulfide-linked nitroxide side chain simplifies the quantitative analysis of PRE data
Abstract The measurement of 1H transverse paramagnetic relaxation enhancement (PRE) has been used in biomolecular systems to determine long-range distance restraints and to visualize sparsely-populated transient states. The intrinsic flexibility of most nitroxide and metal-chelating paramagnetic spin-labels, however, complicates the quantitative interpretation of PREs due to delocalization of the paramagnetic center. Here, we present a novel, disulfide-linked nitroxide spin label, R1p, as...
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09-30-2011 08:01 PM
Engineering of a bis-chelator motif into a protein ?-helix for rigid lanthanide binding and paramagnetic NMR spectroscopy.
Engineering of a bis-chelator motif into a protein ?-helix for rigid lanthanide binding and paramagnetic NMR spectroscopy.
Engineering of a bis-chelator motif into a protein ?-helix for rigid lanthanide binding and paramagnetic NMR spectroscopy.
Chem Commun (Camb). 2011 May 27;
Authors: Swarbrick JD, Ung P, Su XC, Maleckis A, Chhabra S, Huber T, Otting G, Graham B
Attachment of two nitrilotriacetic acid-based ligands to a protein ?-helix in an i, i + 4 configuration produces an octadentate chelating motif that is able to bind paramagnetic...
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05-28-2011 06:50 PM
A rigid lanthanide binding tag for NMR structural analysis of carbohydrates.
A rigid lanthanide binding tag for NMR structural analysis of carbohydrates.
A rigid lanthanide binding tag for NMR structural analysis of carbohydrates.
Chem Commun (Camb). 2011 May 23;
Authors: Mallagaray A, Canales A, Domínguez G, Jiménez-Barbero J, Pérez-Castells J
The first synthesis of a carbohydrate molecule covalently bound to a rigid lanthanide binding tag is reported. This derivative has been designed as a new tool to provide long-range restraints for structural elucidation and molecular recognition studies of carbohydrates, thus...
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05-25-2011 07:01 PM
[NMR paper] Solid-state NMR and rigid body molecular dynamics to determine domain orientations of
Solid-state NMR and rigid body molecular dynamics to determine domain orientations of monomeric phospholamban.
Related Articles Solid-state NMR and rigid body molecular dynamics to determine domain orientations of monomeric phospholamban.
J Am Chem Soc. 2002 Aug 14;124(32):9392-3
Authors: Mascioni A, Karim C, Zamoon J, Thomas DD, Veglia G
Solid-state NMR spectroscopy, in conjunction with rigid body molecular dynamics calculations, shows that monomeric phospholamban in lipid bilayers has two distinct helical domains, with an interhelical angle...
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11-24-2010 08:58 PM
[NMR paper] An analytical solution to the problem of the orientation of rigid particles by planar
An analytical solution to the problem of the orientation of rigid particles by planar obstacles. Application to membrane systems and to the calculation of dipolar couplings in protein NMR spectroscopy.
Related Articles An analytical solution to the problem of the orientation of rigid particles by planar obstacles. Application to membrane systems and to the calculation of dipolar couplings in protein NMR spectroscopy.
J Am Chem Soc. 2001 Dec 5;123(48):12037-47
Authors: Fernandes MX, Bernadó P, Pons M, García de la Torre J
Nonspherical particles...
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11-19-2010 08:44 PM
[NMR paper] Discovering high-affinity ligands for proteins: SAR by NMR.
Discovering high-affinity ligands for proteins: SAR by NMR.
Related Articles Discovering high-affinity ligands for proteins: SAR by NMR.
Science. 1996 Nov 29;274(5292):1531-4
Authors: Shuker SB, Hajduk PJ, Meadows RP, Fesik SW
A nuclear magnetic resonance (NMR)-based method is described in which small organic molecules that bind to proximal subsites of a protein are identified, optimized, and linked together to produce high-affinity ligands. The approach is called "SAR by NMR" because structure-activity relationships (SAR) are obtained from...
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08-22-2010 02:20 PM
[NMR paper] NMR studies of interactions of ligands with dihydrofolate reductase.
NMR studies of interactions of ligands with dihydrofolate reductase.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR studies of interactions of ligands with dihydrofolate reductase.
Biochem Pharmacol. 1990 Jul 1;40(1):141-52
Authors: Feeney J
NMR spectroscopy is a useful technique for studying interactions, conformations and dynamic processes within ligand-protein complexes. Several examples of the application of the method to studies of complexes of anti-folate...
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08-21-2010 10:48 PM
[NMR paper] NMR of drugs and ligands bound to membrane receptors.
NMR of drugs and ligands bound to membrane receptors.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR of drugs and ligands bound to membrane receptors.
Curr Opin Biotechnol. 1999 Feb;10(1):48-53
Authors: Watts A
NMR methods are now able to give detailed structural, dynamic and electronic information about drugs and ligands while constrained at their site of action in membrane-embedded receptors, information which is essential for mechanistic descriptions of their...
keep rigid ligands
Linear Mode
