2vg5

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spinqualitylabelsall models PDB ID 2vg5 Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image
, resolution 2.80Å
Sites:
Ligands:
Related:	1AJV, 1HPS, 1D4J, 1R0A, 1HPZ, 1HQE, 1QE1, 1AJX, 1TVR, 1EBK, 1S6P, 1BQM, 1IKV, 1W5Y, 1HOS, 1S6Q, 1IKW, 3HVT, 1EC1, 1EC0, 1T05, 1RVQ, 1D4I, 1MEU, 2BE2, 1S9G, 1HNV, 1RVR, 1IKX, 1W5W, 1IKY, 1QMC, 1N6Q, 1RVN, 1D4H, 1HBV, 1RTD, 1HTF, 1EC2, 1W5V, 2HMI, 2UY0, 1SV5, 1HMV, 1S9E, 1N5Y, 1DLO, 1HEG, 1RVP, 1RVL, 1DW6, 1EET, 2B6A, 1W5X, 1HVU, 1HTG, 1EBW, 2BAN, 1RDH, 1EBY, 1J5O, 1HVP, 1RVO, 1MES, 1EC3, 1HIH, 1HEF, 1HNI, 1TV6, 2B5J, 1EBZ, 1HYS, 1MET, 1T03, 1AXA, 1MER, 3TLH, 2UXZ, 1SBG, 1HVK, 1BQN, 1SUQ, 1UWB, 1RVM, 1HTE, 1HRH, 1HQU, 2VG6, 2VG7
Resources:	FirstGlance, OCA, PDBsum, RCSB
Coordinates:	save as pdb, mmCIF, xml

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

Overview

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.

About this Structure

2VG5 is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.

Reference

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

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