3R4B

Crystal Structure of Wild-type HIV-1 Protease in Complex With TMC310911

Summary for 3R4B

• Entry DOI: 10.2210/pdb3r4b/pdb
• Descriptor: HIV-1 protease, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: drug resistance, drug design, protease inhibitors, aids, aspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22482.54

Authors

Schiffer, C.A.,Nalam, M.N.L. (deposition date: 2011-03-17, release date: 2011-09-21, Last modification date: 2023-09-13)

• Primary citation: Dierynck, I.,Van Marck, H.,Van Ginderen, M.,Jonckers, T.H.,Nalam, M.N.,Schiffer, C.A.,Raoof, A.,Kraus, G.,Picchio, G.; TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors.; Antimicrob.Agents Chemother., 55:5723-5731, 2011; PubMed: 21896904; DOI: 10.1128/AAC.00748-11

Experimental method

X-RAY DIFFRACTION (1.9 Å)