3GI6

Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease

Summary for 3GI6

• Entry DOI: 10.2210/pdb3gi6/pdb
• Related: 3GI5 3GI6
• Descriptor: Protease, (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: drug design, protease inhibitors, hiv-1 protease, aspartyl protease, hydrolase, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22580.20

Authors

Nalam, M.N.L.,Schiffer, C.A. (deposition date: 2009-03-05, release date: 2010-03-09, Last modification date: 2024-02-21)

• Primary citation: Nalam, M.N.,Ali, A.,Altman, M.D.,Reddy, G.S.,Chellappan, S.,Kairys, V.,Ozen, A.,Cao, H.,Gilson, M.K.,Tidor, B.,Rana, T.M.,Schiffer, C.A.; Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.; J.Virol., 84:5368-5378, 2010; PubMed: 20237088; DOI: 10.1128/JVI.02531-09

Experimental method

X-RAY DIFFRACTION (1.84 Å)