3MXE

Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease

3MXE の概要

• エントリーDOI: 10.2210/pdb3mxe/pdb
• 関連するPDBエントリー: 3MXD
• 分子名称: HIV-1 protease, (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, PHOSPHATE ION, ... (5 entities in total)
• 機能のキーワード: drug design, protease inhibitors, hiv protease, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: HIV-1 M:B_ARV2/SF2 (HIV-1)
• 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 : P03369
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22476.35

構造登録者

Nalam, M.N.L.,Schiffer, C.A. (登録日: 2010-05-07, 公開日: 2010-11-10, 最終更新日: 2024-03-13)

• 主引用文献: Ali, A.,Reddy, G.S.,Nalam, M.N.,Anjum, S.G.,Cao, H.,Schiffer, C.A.,Rana, T.M.; Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.; J.Med.Chem., 53:7699-7708, 2010; PubMed: 20958050; DOI: 10.1021/jm1008743

実験手法

X-RAY DIFFRACTION (1.85 Å)