4J55

Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-02031

Summary for 4J55

• Entry DOI: 10.2210/pdb4j55/pdb
• Related: 3H5B 3UCB 3UF3 3UFN 3UHL 4J54 4J5J
• Descriptor: Protease, (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate (3 entities in total)
• Functional Keywords: multidrug resistant hiv-1 protease clinical isolate pr20, clinical inhibitor amprenavir, potent antiviral inhibitor grl-0519a, potent antiviral inhibitor grl-02031, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1 (HIV-1)
• Cellular location: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03367
• Total number of polymer chains: 2
• Total formula weight: 22736.51

Authors

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2013-02-07, release date: 2013-05-15, Last modification date: 2023-09-20)

• Primary citation: Agniswamy, J.,Shen, C.H.,Wang, Y.F.,Ghosh, A.K.,Rao, K.V.,Xu, C.X.,Sayer, J.M.,Louis, J.M.,Weber, I.T.; Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.; J.Med.Chem., 56:4017-4027, 2013; PubMed: 23590295; DOI: 10.1021/jm400231v

Experimental method

X-RAY DIFFRACTION (1.31 Å)