| Structural highlights
2vg6 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, 1hps, 1d4j, 1r0a, 1hpz, 1qe1, 1hqe, 1ajx, 1tvr, 1ebk, 1s6p, 1ikv, 1bqm, 1w5y, 1hos, 1s6q, 1ikw, 3hvt, 1ec1, 1ec0, 1t05, 1rvq, 1d4i, 1meu, 2be2, 1s9g, 1hnv, 1rvr, 1ikx, 1w5w, 1qmc, 1iky, 1n6q, 1rvn, 1d4h, 1hbv, 1htf, 1rtd, 1ec2, 2hmi, 1w5v, 1sv5, 2uy0, 1hmv, 1s9e, 1n5y, 1dlo, 1heg, 1rvp, 1rvl, 1eet, 1dw6, 2b6a, 1w5x, 1htg, 1hvu, 1ebw, 1rdh, 2ban, 1eby, 1j5o, 1rvo, 1hvp, 1mes, 1ec3, 1hef, 1hih, 1hni, 1tv6, 1ebz, 2b5j, 1met, 1hys, 1t03, 1axa, 1mer, 3tlh, 1suq, 2uxz, 1bqn, 1hvk, 1sbg, 1uwb, 1rvm, 1hte, 1hrh, 1hqu, 2vg5, 2vg7 |
| 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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M. Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors. Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:18035053 doi:10.1016/j.bbrc.2007.11.036
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