6D0E

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-084-13

Summary for 6D0E

• Entry DOI: 10.2210/pdb6d0e/pdb
• Descriptor: Protease, (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate (3 entities in total)
• Functional Keywords: hiv-1 protease, protease inhibitor, darunavir, difluorophenyl, nonpeptidic, tmc-126, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22220.19

Authors

Yedidi, R.S.,Hayashi, H.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2018-04-10, release date: 2019-05-01, Last modification date: 2023-10-04)

• Primary citation: Amano, M.,Salcedo-Gomez, P.M.,Yedidi, R.S.,Zhao, R.,Hayashi, H.,Hasegawa, K.,Nakamura, T.,Martyr, C.D.,Ghosh, A.K.,Mitsuya, H.; Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.; Antimicrob.Agents Chemother., 63:-, 2019; PubMed: 31061155; DOI: 10.1128/AAC.00466-19

Experimental method

X-RAY DIFFRACTION (1.95 Å)