4I7F

HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine

4I7F の概要

• エントリーDOI: 10.2210/pdb4i7f/pdb
• 分子名称: Reverse transcriptase, diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate, SULFATE ION, ... (7 entities in total)
• 機能のキーワード: nnrti, hiv, reverse transcriptase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: HIV-1 M:B_HXB2R (HIV-1); 詳細
• 細胞内の位置: 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
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 116966.01

構造登録者

Lansdon, E.B.,Parrish, J. (登録日: 2012-11-30, 公開日: 2013-02-20, 最終更新日: 2023-09-20)

主引用文献

Parrish, J.,Tong, L.,Wang, M.,Chen, X.,Lansdon, E.B.,Cannizzaro, C.,Zheng, X.,Desai, M.C.,Xu, L.
Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23:1493-1497, 2013

PubMed Abstract: A series of nevirapine-based analogues containing the phosphonate functionality were prepared and evaluated in vitro against HIV RT. The effect of the phosphonate was evaluated against the wild type and Y181C HIV replication. An in vivo PK study was performed on a select analogue.

PubMed: 23375792
DOI: 10.1016/j.bmcl.2012.12.049

実験手法

X-RAY DIFFRACTION (2.5 Å)