3TAM

Crystal structure of HIV-1 reverse transcriptase (K103N mutant) in complex with inhibitor M06

3TAM の概要

• エントリーDOI: 10.2210/pdb3tam/pdb
• 関連するPDBエントリー: 3T19 3T1A
• 分子名称: Reverse transcriptase/ribonuclease H, p51 RT, 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile, ... (4 entities in total)
• 機能のキーワード: hiv-1 reverse transcriptase, non-nucleoside inhibition, nucleotidyltranferase, k103n, hiv-1, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: HIV-1 M:B_HXB2R (HIV-1); 詳細
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P04585 P04585
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 116988.39

構造登録者

Yan, Y. (登録日: 2011-08-04, 公開日: 2011-10-26, 最終更新日: 2023-09-13)

主引用文献

Gomez, R.,Jolly, S.,Williams, T.,Tucker, T.,Tynebor, R.,Vacca, J.,McGaughey, G.,Lai, M.T.,Felock, P.,Munshi, V.,DeStefano, D.,Touch, S.,Miller, M.,Yan, Y.,Sanchez, R.,Liang, Y.,Paton, B.,Wan, B.L.,Anthony, N.
Design and synthesis of pyridone inhibitors of non-nucleoside reverse transcriptase.
Bioorg.Med.Chem.Lett., 21:7344-7350, 2011

PubMed Abstract: Next generation NNRTIs are sought which possess both broad spectrum antiviral activity against key mutant strains and a high genetic barrier to the selection of new mutant viral strains. Pyridones were evaluated as an acyclic conformational constraint to replace the aryl ether core of MK-4965 (1) and the more rigid indazole constraint of MK-6186 (2). The resulting pyridone compounds are potent inhibitors of HIV RT and have antiviral activity in cell culture that is superior to other next generation NNRTI's.

PubMed: 22071300
DOI: 10.1016/j.bmcl.2011.10.027

実験手法

X-RAY DIFFRACTION (2.51 Å)