7L7L

Crystal structure of HCV NS3/4A D168A protease in complex with NR01-129

Summary for 7L7L

Entry DOI	10.2210/pdb7l7l/pdb
Descriptor	NS3/4A protease, ZINC ION, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Hepacivirus C
Total number of polymer chains	1
Total formula weight	22332.52
Authors	Zephyr, J.,Schiffer, C.A. (deposition date: 2020-12-29, release date: 2021-09-01, Last modification date: 2023-10-18)
Primary citation	Nageswara Rao, D.,Zephyr, J.,Henes, M.,Chan, E.T.,Matthew, A.N.,Hedger, A.K.,Conway, H.L.,Saeed, M.,Newton, A.,Petropoulos, C.J.,Huang, W.,Kurt Yilmaz, N.,Schiffer, C.A.,Ali, A. Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64:11972-11989, 2021 Cited by PubMed: 34405680 DOI: 10.1021/acs.jmedchem.1c00554 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.88 Å)

Structure validation