7MYY

Crystal Structure of HIV-1 PRS17 with GRL-142

Summary for 7MYY

• Entry DOI: 10.2210/pdb7myy/pdb
• Descriptor: Protease, (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, GLYCEROL, ... (5 entities in total)
• Functional Keywords: hiv-1 protease, multi drug resistant, hydrolase inhibitor complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22511.75

Authors

Agniswamy, J.,Weber, I.T. (deposition date: 2021-05-22, release date: 2021-07-28, Last modification date: 2023-10-18)

• Primary citation: Agniswamy, J.,Kneller, D.W.,Ghosh, A.K.,Weber, I.T.; Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 .; Biochem.Biophys.Res.Commun., 566:30-35, 2021; PubMed: 34111669; DOI: 10.1016/j.bbrc.2021.05.094

Experimental method

X-RAY DIFFRACTION (1.5 Å)