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6DIV

Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67)

Summary for 6DIV
Entry DOI10.2210/pdb6div/pdb
DescriptorNS3 protease, (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, ZINC ION, ... (6 entities in total)
Functional Keywordsns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase/hydrolase inhibitor
Biological sourceHepacivirus C
Total number of polymer chains1
Total formula weight22574.82
Authors
Matthew, A.N.,Schiffer, C.A. (deposition date: 2018-05-23, release date: 2019-07-31, Last modification date: 2023-10-11)
Primary citationMatthew, A.N.,Schiffer, C.A.
Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published,
Experimental method
X-RAY DIFFRACTION (1.83 Å)
Structure validation

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