3MXE

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

Summary for 3MXE

• Entry DOI: 10.2210/pdb3mxe/pdb
• Related: 3MXD
• Descriptor: 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)
• Functional Keywords: drug design, protease inhibitors, hiv protease, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: HIV-1 M:B_ARV2/SF2 (HIV-1)
• Cellular location: 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
• Total number of polymer chains: 2
• Total formula weight: 22476.35

Authors

Nalam, M.N.L.,Schiffer, C.A. (deposition date: 2010-05-07, release date: 2010-11-10, Last modification date: 2024-03-13)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.85 Å)