1TKZ

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576

1TKZ の概要

• エントリーDOI: 10.2210/pdb1tkz/pdb
• 分子名称: Pol polyprotein, Reverse transcriptase, Chain A, Pol polyprotein, Reverse transcriptase, Chain B, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: hiv-1 reverse transcriptase, aids, nnrti, gw429576, drug design, transferase
• 由来する生物種: Human immunodeficiency virus 1; 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 116614.80

構造登録者

Hopkins, A.L.,Ren, J.,Stuart, D.I.,Stammers, D.K. (登録日: 2004-06-09, 公開日: 2004-12-07, 最終更新日: 2024-11-20)

主引用文献

Hopkins, A.L.,Ren, J.,Milton, J.,Hazen, R.J.,Chan, J.H.,Stuart, D.I.,Stammers, D.K.
Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47:5912-5922, 2004

PubMed Abstract: We have used a structure-based approach to design a novel series of non-nucleoside inhibitors of HIV-1 RT (NNRTIs). Detailed analysis of a wide range of crystal structures of HIV-1 RT-NNRTI complexes together with data on drug resistance mutations has identified factors important for tight binding of inhibitors and resilience to mutations. Using this approach we have designed and synthesized a novel series of quinolone NNRTIs. Crystal structure analysis of four of these compounds in complexes with HIV-1 RT confirms the predicted binding modes. Members of this quinolone series retain high activity against the important resistance mutations in RT at Tyr181Cys and Leu100Ile.

PubMed: 15537346
DOI: 10.1021/jm040071z

実験手法

X-RAY DIFFRACTION (2.81 Å)