High resolution NMR conformational studies of new bivalent NOP receptor antagonists in model membrane systems.
Bioorg Chem. 2011 Feb;39(1):59-66
Authors: Borioni A, Bastanzio G, Delfini M, Mustazza C, Sciubba F, Tatti M, Del Giudice MR
The interaction of new bivalent NOP receptor antagonists with dodecyl phosphatidylcholine micelles and DMPC/cholesterol liposomes was investigated in solution by high resolution NMR. The ligands are structurally related to the NOP antagonist JTC-801 plus a propanediamine or heptanediamine spacer between the pharmacophoric units. Ligand internuclear distances were derived from 2D NOESY data and applied to molecular modelling calculations as conformational restraints. NMR experiments on micelles evidenced that the ligands closely approached the micelles but gave no hints on the preferential conformations of the interacting ligands. Results from NMR experiments in the presence of liposomes clearly indicated that both ligands strongly interacted with the bilayer assuming a preferential folded conformation with the quinoline arms superimposing on each other. The finding suggested that these strongly lipophilic pharmacophores could localize in the native receptorial membrane in the form of a depot, gaining access to the recognition site via the lipid bilayer.
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data
Abstract X-ray diffraction and nuclear magnetic resonance spectroscopy (NMR) are the staple methods for revealing atomic structures of proteins. Since crystals of biomolecular assemblies and membrane proteins often diffract weakly and such large systems encroach upon the molecular tumbling limit of solution NMR, new methods are essential to extend structures of such systems to high resolution. Here we present a method that incorporates solid-state NMR restraints alongside...
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09-26-2011 06:42 AM
NMR studies of three-dimensional structure and positioning of CPPs in membrane model systems.
NMR studies of three-dimensional structure and positioning of CPPs in membrane model systems.
NMR studies of three-dimensional structure and positioning of CPPs in membrane model systems.
Methods Mol Biol. 2011;683:57-67
Authors: Mäler L, Gräslund A
CPPs are generally short cationic peptides that have the capability to interact directly with membranes. Most CPPs attain a three-dimensional structure when interacting with bilayers, while they are more or less unstructured in aqueous solution. To understand the relationship between structure and the...
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02-16-2011 07:40 PM
[NMR paper] Investigation of ligand-receptor systems by high-resolution solid-state NMR: recent p
Investigation of ligand-receptor systems by high-resolution solid-state NMR: recent progress and perspectives.
Related Articles Investigation of ligand-receptor systems by high-resolution solid-state NMR: recent progress and perspectives.
Arch Pharm (Weinheim). 2005 Jun;338(5-6):217-28
Authors: Luca S, Heise H, Lange A, Baldus M
Solid-state Nuclear Magnetic Resonance (NMR) provides a general method to study molecular structure and dynamics in a non-crystalline and insoluble environment. We discuss the latest methodological progress to...
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11-25-2010 08:21 PM
[NMR paper] High-resolution NMR spectroscopy of membrane proteins in aligned bicelles.
High-resolution NMR spectroscopy of membrane proteins in aligned bicelles.
Related Articles High-resolution NMR spectroscopy of membrane proteins in aligned bicelles.
J Am Chem Soc. 2004 Dec 1;126(47):15340-1
Authors: De Angelis AA, Nevzorov AA, Park SH, Howell SC, Mrse AA, Opella SJ
High-resolution solid-state NMR spectra can be obtained from uniformly (15)N-labeled membrane proteins in magnetically aligned bicelles. Fast uniaxial diffusion about the axis of the bilayer normal results in single-line spectra that contain the orientational...
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11-24-2010 10:03 PM
[NMR paper] High-resolution X-ray and NMR structures of the SMN Tudor domain: conformational vari
High-resolution X-ray and NMR structures of the SMN Tudor domain: conformational variation in the binding site for symmetrically dimethylated arginine residues.
Related Articles High-resolution X-ray and NMR structures of the SMN Tudor domain: conformational variation in the binding site for symmetrically dimethylated arginine residues.
J Mol Biol. 2003 Mar 21;327(2):507-20
Authors: Sprangers R, Groves MR, Sinning I, Sattler M
The SMN protein, which is linked to spinal muscular atrophy (SMA), plays an important role in the assembly of the...
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11-24-2010 09:01 PM
[NMR paper] High-resolution NMR structure of the chemically-synthesized melanocortin receptor bin
High-resolution NMR structure of the chemically-synthesized melanocortin receptor binding domain AGRP(87-132) of the agouti-related protein.
Related Articles High-resolution NMR structure of the chemically-synthesized melanocortin receptor binding domain AGRP(87-132) of the agouti-related protein.
Biochemistry. 2001 Dec 25;40(51):15520-7
Authors: McNulty JC, Thompson DA, Bolin KA, Wilken J, Barsh GS, Millhauser GL
The agouti-related protein (AGRP) is an endogenous antagonist of the melanocortin receptors MC3R and MC4R found in the hypothalamus...
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11-19-2010 08:44 PM
[NMR paper] High resolution 2D-NMR studies indicating complete assignments and conformational cha
High resolution 2D-NMR studies indicating complete assignments and conformational characteristics of the NF-kappa B binding enhancer element of HIV-LTR.
Related Articles High resolution 2D-NMR studies indicating complete assignments and conformational characteristics of the NF-kappa B binding enhancer element of HIV-LTR.
J Biomol Struct Dyn. 1995 Oct;13(2):269-84
Authors: Singh MP, Fregeau NL, Pon RT, Lown JW
The asymmetrical DNA duplex . has been studied by one- and two-dimensional NMR techniques. The sequence is comprised of the actual 10...
High resolution NMR conformational studies of new bivalent NOP receptor antagonists in model membrane systems.
Linear Mode
