7WBS

Crystal structure of HIV-1 protease in complex with lactam derivative 2

7WBS の概要

• エントリーDOI: 10.2210/pdb7wbs/pdb
• 分子名称: Protease, GLYCEROL, (3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one, ... (4 entities in total)
• 機能のキーワード: hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22365.40

構造登録者

Kojima, E.,Iimuro, A.,Nakajima, M.,Kinuta, H.,Asada, N.,Sako, Y.,Nakata, Z.,Uemura, K.,Arita, S.,Miki, S.,Wakabayashi-Morimoto, C.,Tachibana, Y.,Fumoto, M. (登録日: 2021-12-17, 公開日: 2022-11-02, 最終更新日: 2023-11-29)

• 主引用文献: Kojima, E.,Iimuro, A.,Nakajima, M.,Kinuta, H.,Asada, N.,Sako, Y.,Nakata, Z.,Uemura, K.,Arita, S.,Miki, S.,Wakasa-Morimoto, C.,Tachibana, Y.; Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.; J.Med.Chem., 65:6157-6170, 2022; PubMed: 35416651; DOI: 10.1021/acs.jmedchem.1c02217

実験手法

X-RAY DIFFRACTION (1.85 Å)