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Ligands
Code Name Style Show Link
FH1 N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4r)-N-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide
SO4 Sulfate ion
ZN Zinc ion
Non-standard Residues
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Code : 6CVW   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE Inhibitor
Title : Crystal structure of HCV NS3/4A WT protease in complex with AJ-52 (MK-5172 linear analogue)
Release Data : 2018-08-08
Compound :
mol_id molecule chains
1 NS3 protease A
Source :
mol_id organism_scientific expression_system
1 Hepacivirus C  (taxid:11103) Escherichia coli BL21(DE3)  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pET-28a
Authors : Matthew, A.N., Schiffer, C.A.
Keywords : NS3/4a Protease, Hepatitis C virus, Drug Resistance, protease inhibitor, HYDROLASE-HYDROLASE Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.780 Å )
Citation :

Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.

Rusere, L.N.,Matthew, A.N.,Lockbaum, G.J.  et al.
(2018)  ACS Med Chem Lett  9 : 691 - 696

PubMed: 30034602
DOI: 10.1021/acsmedchemlett.8b00150

Chain : A
UniProt : A0A0B4WYC6 (A0A0B4WYC6_9HEPC)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + H(+) + phosphate 3.6.4.13 ARBA:ARBA00001556
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