7WBS

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

Summary for 7WBS

• Entry DOI: 10.2210/pdb7wbs/pdb
• Descriptor: 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)
• Functional Keywords: hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22365.40

Authors

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. (deposition date: 2021-12-17, release date: 2022-11-02, Last modification date: 2023-11-29)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.85 Å)