We applied a high-throughput strategy for the screening of targets for structural proteomics of Xanthomonas axonopodis pv citri. This strategy is based on the rapid (1)H-(15)N HSQC NMR analysis of bacterial lysates containing selectively (15)N-labelled heterologous proteins. Our analysis permitted us to classify the 19 soluble candidates in terms of 'foldedness', that is, the extent to which they present a well-folded solution structure, as reflected by the quality of their NMR spectra. This classification allowed us to define a priority list to be used as a guide to select protein candidates for further structural studies.
[NMR paper] NMR fragment screening: tackling protein-protein interaction targets.
NMR fragment screening: tackling protein-protein interaction targets.
Related Articles NMR fragment screening: tackling protein-protein interaction targets.
Curr Opin Drug Discov Devel. 2005 May;8(3):365-73
Authors: Schade M, Oschkinat H
High-throughput screening of libraries containing compounds of 'drug-like' molecular weight has frequently resulted in no or poor drug candidates, especially when screening against demanding drug targets such as protein-protein interactions. Fragment-based lead discovery and optimization has evolved as a...
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[NMR paper] Druggability indices for protein targets derived from NMR-based screening data.
Druggability indices for protein targets derived from NMR-based screening data.
Related Articles Druggability indices for protein targets derived from NMR-based screening data.
J Med Chem. 2005 Apr 7;48(7):2518-25
Authors: Hajduk PJ, Huth JR, Fesik SW
An analysis of heteronuclear-NMR-based screening data is used to derive relationships between the ability of small molecules to bind to a protein and various parameters that describe the protein binding site. It is found that a simple model including terms for polar and apolar surface area,...
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[NMR paper] High-throughput 3D structural homology detection via NMR resonance assignment.
High-throughput 3D structural homology detection via NMR resonance assignment.
Related Articles High-throughput 3D structural homology detection via NMR resonance assignment.
Proc IEEE Comput Syst Bioinform Conf. 2004;:278-89
Authors: Langmead CJ, Donald BR
One goal of the structural genomics initiative is the identification of new protein folds. Sequence-based structural homology prediction methods are an important means for prioritizing unknown proteins for structure determination. However, an important challenge remains: two highly...
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11-24-2010 09:25 PM
[NMR paper] NMR for structural proteomics of Thermotoga maritima: screening and structure determi
NMR for structural proteomics of Thermotoga maritima: screening and structure determination.
Related Articles NMR for structural proteomics of Thermotoga maritima: screening and structure determination.
J Struct Funct Genomics. 2004;5(3):205-15
Authors: Peti W, Etezady-Esfarjani T, Herrmann T, Klock HE, Lesley SA, Wüthrich K
This paper describes the NMR screening of 141 small (
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[NMR paper] Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practica
Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practical considerations, and range of applicability.
Related Articles Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practical considerations, and range of applicability.
J Am Chem Soc. 2003 Jun 25;125(25):7696-703
Authors: Dalvit C, Fagerness PE, Hadden DT, Sarver RW, Stockman BJ
Competition ligand-based NMR screening experiments have recently been introduced to overcome most of the problems associated with traditional ligand-based NMR...
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11-24-2010 09:01 PM
[NMR paper] Integration of NMR and high-throughput screening.
Integration of NMR and high-throughput screening.
Related Articles Integration of NMR and high-throughput screening.
Comb Chem High Throughput Screen. 2002 Dec;5(8):613-21
Authors: Hajduk PJ, Burns DJ
NMR-based screening has become a powerful method for the identification and analysis of low-molecular weight organic compounds that bind to protein targets and can be utilized in drug discovery programs. In particular, heteronuclear NMR-based screening can yield information about both the affinity and binding location of potential lead compounds....
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11-24-2010 08:58 PM
[NMR paper] Application of NMR in structural proteomics: screening for proteins amenable to struc
Application of NMR in structural proteomics: screening for proteins amenable to structural analysis.
Related Articles Application of NMR in structural proteomics: screening for proteins amenable to structural analysis.
Structure. 2002 Dec;10(12):1613-8
Authors: Rehm T, Huber R, Holak TA
In the time of structural proteomics when protein structures are targeted on a genome-wide scale, the detection of "well-behaved" proteins that would yield good quality NMR spectra or X-ray images is the key to high-throughput structure determination. Already,...
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[NMR paper] An efficient high-throughput resonance assignment procedure for structural genomics a
An efficient high-throughput resonance assignment procedure for structural genomics and protein folding research by NMR.
Related Articles An efficient high-throughput resonance assignment procedure for structural genomics and protein folding research by NMR.
Biochemistry. 2001 Dec 11;40(49):14727-35
Authors: Bhavesh NS, Panchal SC, Hosur RV
Sequence specific resonance assignment is the primary requirement for all investigations of proteins by NMR methods. In the present postgenomic era where structural genomics and protein folding have...
High-throughput screening of structural proteomics targets using NMR.
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