1TKX

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745

Summary for 1TKX

• Entry DOI: 10.2210/pdb1tkx/pdb
• Descriptor: Pol polyprotein, Reverse transcriptase, Chain A, Pol polyprotein, Reverse transcriptase, Chain B, 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE (3 entities in total)
• Functional Keywords: hiv-1 reverse transcriptase, aids, nnrti, gw490745, drug design, transferase
• Biological source: Human immunodeficiency virus 1; More
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor . Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P04585 P04585
• Total number of polymer chains: 2
• Total formula weight: 116279.31

Authors

Ren, J.,Hopkins, A.L.,Stuart, D.I.,Stammers, D.K. (deposition date: 2004-06-09, release date: 2004-12-07, Last modification date: 2024-11-06)

Primary citation

Freeman, G.A.,Andrews Iii, C.W.,Hopkins, A.L.,Lowell, G.S.,Schaller, L.T.,Cowan, J.R.,Gonzales, S.S.,Koszalka, G.W.,Hazen, R.J.,Boone, L.R.,Ferris, R.G.,Creech, K.L.,Roberts, G.B.,Short, S.A.,Weaver, K.,Reynolds, D.J.,Milton, J.,Ren, J.,Stuart, D.I.,Stammers, D.K.,Chan, J.H.
Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2.
J.Med.Chem., 47:5923-5936, 2004

PubMed Abstract: HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs) are part of the combination therapy currently used to treat HIV infection. The features of a new NNRTI drug for HIV treatment must include selective potent activity against both wild-type virus as well as against mutant virus that have been selected by use of current antiretroviral treatment regimens. Based on analogy with known HIV-1 NNRTI inhibitors and modeling studies utilizing the X-ray crystal structure of inhibitors bound in the HIV-1 RT, a series of substituted 2-quinolones was synthesized and evaluated as HIV-1 inhibitors.

PubMed: 15537347
DOI: 10.1021/jm040072r

Experimental method

X-RAY DIFFRACTION (2.85 Å)