2vg7

CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORSCRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS

Structural highlights 2vg7 is a 2 chain structure with sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: Related: 1ajv, 1bqm, 1d4h, 1d4i, 1dw6, 1ebk, 1ebw, 1ec0, 1ec1, 1ec2, 1ec3, 1eet, 1hni, 1hnv, 1hps, 1hqe, 1htf, 1htg, 1hys, 1ikw, 1mes, 1met, 1n5y, 1n6q, 1rdh, 1rtd, 1ajx, 1axa, 1bqn, 1d4j, 1dlo, 1eby, 1ebz, 1hbv, 1hef, 1heg, 1hih, 1hmv, 1hos, 1hpz, 1hqu, 1hrh, 1hte, 1hvk, 1hvp, 1hvu, 1ikv, 1ikx, 1iky, 1j5o, 1mer, 1meu, 1qe1, 1qmc, 1rvl, 1rvn, 1rvr, 1sbg, 1t05, 1tvr, 1uwb, 1w5v, 2b5j, 2ban, 2uxz, 2uy0, 3hvt, 3tlh, 1r0a, 1rvm, 1rvo, 1rvp, 1rvq, 1s6p, 1s6q, 1s9e, 1s9g, 1suq, 1sv5, 1t03, 1tv6, 1w5w, 1w5x, 1w5y, 2b6a, 2be2, 2hmi, 2vg5, 2vg6 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed O-Phthalimidoethyl-N-arylthiocarbamates (TCs) have been recently identified as a new class of potent HIV-1 reverse transcriptase (RT) non-nucleoside inhibitors (NNRTIs), by means of computer-aided drug design techniques [Ranise A. Spallarossa, S. Cesarini, F. Bondavalli, S. Schenone, O. Bruno, G. Menozzi, P. Fossa, L. Mosti, M. La Colla, et al., Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives, J. Med. Chem. 48 (2005) 3858-3873]. To elucidate the atomic details of RT/TC interaction and validate an earlier TC docking model, the structures of three RT/TC complexes were determined at 2.8-3.0A resolution by X-ray crystallography. The conformations adopted by the enzyme-bound TCs were analyzed and compared with those of bioisosterically related NNRTIs. Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors.,Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:18035053 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Reverse transcriptase

spinqualitylabelsall models 2vg7, resolution 2.82Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image