6CVX

Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue)

Summary for 6CVX

Entry DOI	10.2210/pdb6cvx/pdb
Descriptor	NS3 protease, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide, SULFATE ION, ... (6 entities in total)
Functional Keywords	ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Hepacivirus C
Total number of polymer chains	1
Total formula weight	22467.78
Authors	Matthew, A.N.,Schiffer, C.A. (deposition date: 2018-03-29, release date: 2018-08-08, Last modification date: 2023-10-04)
Primary citation	Rusere, L.N.,Matthew, A.N.,Lockbaum, G.J.,Jahangir, M.,Newton, A.,Petropoulos, C.J.,Huang, W.,Kurt Yilmaz, N.,Schiffer, C.A.,Ali, A. Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants. ACS Med Chem Lett, 9:691-696, 2018 Cited by PubMed: 30034602 DOI: 10.1021/acsmedchemlett.8b00150 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.779 Å)

Structure validation