6UWB

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08513

Summary for 6UWB

• Entry DOI: 10.2210/pdb6uwb/pdb
• Related: 4HLA 6D0D 6D0E
• Descriptor: Protease, (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate (3 entities in total)
• Functional Keywords: protease inhibitors, aids, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22304.34

Authors

Yedidi, R.S.,Hayashi, H.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2019-11-05, release date: 2020-11-18, Last modification date: 2023-10-11)

• Primary citation: Amano, M.,Yedidi, R.S.,Salcedo-Gomez, P.M.,Hayashi, H.,Hasegawa, K.,Martyr, C.D.,Ghosh, A.K.,Mitsuya, H.; Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro.; Antimicrob.Agents Chemother., 66:e0171521-e0171521, 2022; PubMed: 34978889; DOI: 10.1128/AAC.01715-21

Experimental method

X-RAY DIFFRACTION (1.95 Å)