3MXD

Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease

3MXD の概要

• エントリーDOI: 10.2210/pdb3mxd/pdb
• 関連するPDBエントリー: 3MXE
• 分子名称: HIV-1 protease, (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, PHOSPHATE ION, ... (5 entities in total)
• 機能のキーワード: drug design, hiv-1 protease, protease inhibitors, 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: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03369
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22696.20

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 (1.95 Å)