Related ArticlesAutomation of NMR structure determination of proteins.
Curr Opin Struct Biol. 2004 Oct;14(5):547-53
Authors: Altieri AS, Byrd RA
The automation of protein structure determination using NMR is coming of age. The tedious processes of resonance assignment, followed by assignment of NOE (nuclear Overhauser enhancement) interactions (now intertwined with structure calculation), assembly of input files for structure calculation, intermediate analyses of incorrect assignments and bad input data, and finally structure validation are all being automated with sophisticated software tools. The robustness of the different approaches continues to deal with problems of completeness and uniqueness; nevertheless, the future is very bright for automation of NMR structure generation to approach the levels found in X-ray crystallography. Currently, near completely automated structure determination is possible for small proteins, and the prospect for medium-sized and large proteins is good.
[NMR paper] NMR structure determination of proteins supplemented by quantum chemical calculations
NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S.
Related Articles NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S.
J Biomol NMR. 2005 Feb;31(2):97-114
Authors: Hsiao YW, Drakenberg T, Ryde U
We present and test two methods to use quantum chemical calculations to improve standard protein structure refinement by molecular...
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11-24-2010 11:14 PM
[NMR paper] Production in two-liter beverage bottles of proteins for NMR structure determination
Production in two-liter beverage bottles of proteins for NMR structure determination labeled with either 15N- or 13C-15N.
Related Articles Production in two-liter beverage bottles of proteins for NMR structure determination labeled with either 15N- or 13C-15N.
J Struct Funct Genomics. 2004;5(1-2):87-93
Authors: Zhao Q, Frederick R, Seder K, Thao S, Sreenath H, Peterson F, Volkman BF, Markley JL, Fox BG
The use of 2-L polyethylene terephthalate beverage bottles as a bacterial culture vessel has been recently introduced as an enabling technology...
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11-24-2010 09:25 PM
[NMR paper] Structure determination of aligned samples of membrane proteins by NMR spectroscopy.
Structure determination of aligned samples of membrane proteins by NMR spectroscopy.
Related Articles Structure determination of aligned samples of membrane proteins by NMR spectroscopy.
Magn Reson Chem. 2004 Feb;42(2):162-71
Authors: Nevzorov AA, Mesleh MF, Opella SJ
The paper briefly reviews the process of determining the structures of membrane proteins by NMR spectroscopy of aligned samples, describes the integration of recent developments in the interpretation of spectra of aligned proteins and illustrates the application of these methods...
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11-24-2010 09:25 PM
[NMR paper] NMR solution structure determination of membrane proteins reconstituted in detergent
NMR solution structure determination of membrane proteins reconstituted in detergent micelles.
Related Articles NMR solution structure determination of membrane proteins reconstituted in detergent micelles.
FEBS Lett. 2003 Nov 27;555(1):144-50
Authors: Fernández C, Wüthrich K
As an alternative to X-ray crystallography, nuclear magnetic resonance (NMR) spectroscopy in solution can be used for three-dimensional structure determination of small membrane proteins, preferably proteins with beta-barrel fold. This paper reviews recent achievements as...
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11-24-2010 09:16 PM
[NMR paper] Structure determination of membrane proteins by NMR spectroscopy.
Structure determination of membrane proteins by NMR spectroscopy.
Related Articles Structure determination of membrane proteins by NMR spectroscopy.
Biochem Cell Biol. 2002;80(5):597-604
Authors: Opella SJ, Nevzorov A, Mesleb MF, Marassi FM
Current strategies for determining the structures of membrane proteins in lipid environments by NMR spectroscopy rely on the anisotropy of nuclear spin interactions, which are experimentally accessible through experiments performed on weakly and completely aligned samples. Importantly, the anisotropy of...
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11-24-2010 08:49 PM
[NMR paper] An approach for high-throughput structure determination of proteins by NMR spectrosco
An approach for high-throughput structure determination of proteins by NMR spectroscopy.
Related Articles An approach for high-throughput structure determination of proteins by NMR spectroscopy.
J Biomol NMR. 2000 Nov;18(3):229-38
Authors: Medek A, Olejniczak ET, Meadows RP, Fesik SW
An approach is described for rapidly determining protein structures by NMR that utilizes proteins containing 13C-methyl labeled Val, Leu, and Ile (delta1) and protonated Phe and Tyr in a deuterated background. Using this strategy, the key NOEs that define the...
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11-19-2010 08:29 PM
[NMR paper] NMR structure determination of proteins and protein complexes larger than 20 kDa.
NMR structure determination of proteins and protein complexes larger than 20 kDa.
Related Articles NMR structure determination of proteins and protein complexes larger than 20 kDa.
Curr Opin Chem Biol. 1998 Oct;2(5):564-70
Authors: Clore GM, Gronenborn AM
Recent advances in multidimensional nuclear magnetic resonance methodology to obtain 1H, 15N and 13C resonance assignments, interproton distance and torsion angle restraints, and restraints that characterize long-range order, coupled with new methods of structure refinement and novel methods...
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11-17-2010 11:15 PM
Structure determination of proteins in 2H2O solution aided by a deuterium-decoupled 3
Abstract We developed an NMR pulse sequence, 3D HCA(N)CO, to correlate the chemical shifts of protein backbone 1Hα and 13Cα to those of 13C� in the preceding residue. By applying 2H decoupling, the experiment was accomplished with high sensitivity comparable to that of HCA(CO)N. When combined with HCACO, HCAN and HCA(CO)N, the HCA(N)CO sequence allows the sequential assignment using backbone 13C� and amide 15N chemical shifts without resort to backbone amide protons. This assignment strategy was demonstrated for 13C/15N-labeled GB1 dissolved in 2H2O. The quality of the GB1 structure...