GL1X · GenesisL1 explorer

UniProt A0A0B4WYC6

NS3 protease (A0A0B4WYC6)

NS3 protease (UniProt A0A0B4WYC6), EC 3.4.21.-, 3.4.21.98: 72 experimental structures on GenesisL1, 28 ligands bound, 52 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.

UniProt
A0A0B4WYC6
Protein
NS3 protease
EC
3.4.21.-, 3.4.21.98
Experimental structures
72
Predicted models
0
Ligands
28
Pockets
52 · 1 record with a druggable one

Structures

72 records of A0A0B4WYC6 in the MolNFT archive: 72 experimental, 0 predicted.

EntryTitleMethodChainsLigandsPockets
6CVWCrystal structure of HCV NS3/4A WT protease in complex with AJ-52 (MK-5172 linear analogue)x-ray diffractionAZN, SO4, FH12 (best 0.42)
6CVWCrystal structure of HCV NS3/4A wt protease in complex with aj-52 (mk- 5172 linear analogue)x-ray diffractionAZN, SO4, FH1—
6CVXCrystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue)x-ray diffractionAFH4, SO4, ZN—
6CVXCrystal structure of HCV NS3/4A wt protease in complex with aj-50 (mk- 5172 linear analogue)x-ray diffractionAFH4, SO4, ZN—
6CVYCrystal structure of HCV NS3/4A WT protease in complex with AJ-21 (MK-5172 linear analogue)x-ray diffractionAZN, SO4, FHD1 (best 0.31)
6CVYCrystal structure of HCV NS3/4A wt protease in complex with aj-21 (mk- 5172 linear analogue)x-ray diffractionAZN, SO4, FHD—
6DIQCrystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23)x-ray diffractionAGK7, SO4, ZN2 (best 0.38)
6DIQCrystal structure of HCV NS3/4A protease in complex with P4-P5-1 (wk- 23)x-ray diffractionAGK7, SO4, ZN—
6DIRCrystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67)x-ray diffractionAGKA, SO4, ZN1 (best 0.31)
6DIRCrystal structure of HCV NS3/4A protease in complex with P4-P5-2 (aj- 67)x-ray diffractionAGKA, SO4, ZN—
6DISCrystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71)x-ray diffractionAGKG, SO4, ZN2 (best 0.31)
6DISCrystal structure of HCV NS3/4A protease in complex with P4-1 (aj-71)x-ray diffractionAGKG, SO4, ZN—
6DITCrystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19)x-ray diffractionAGKJ, ZN2 (best 0.43)
6DITCrystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01- 19)x-ray diffractionAGKJ, ZN—
6DIUCrystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74)x-ray diffractionAZN, SO4, GKM1 (best 0.30)
6DIUCrystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74)x-ray diffractionAZN, SO4, GKM—
6DIVCrystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67)x-ray diffractionAGKA, ZN, SO41 (best 0.31)
6DIVCrystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (aj-67)x-ray diffractionAGKA, ZN, SO4—
6DIWCrystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71)x-ray diffractionAGKG, SO4, ZN2 (best 0.39)
6DIWCrystal structure of HCV NS3/4A D168A protease in complex with P4-1 (aj-71)x-ray diffractionAGKG, SO4, ZN—
6N4NCrystal structure of the designed protein DNCR2/danoprevir/NS3a complexx-ray diffractionA, BZN, TSV, SO49 (best 0.89)
6N4NCrystal structure of the designed protein DNCR2/DANOPREVIR/NS3A complexx-ray diffractionA, BZN, TSV, SO4—
6PIUCrystal structure of HCV NS3/4A D168A protease in complex with P4-P5-6 (NR03-68)x-ray diffractionAZN, OL72 (best 0.41)
6PIUCrystal structure of HCV NS3/4A D168A protease in complex with P4-P5-6 (NR03-68)x-ray diffractionAZN, OL7—
6PIVCrystal structure of HCV NS3/4A D168A protease in complex with P4-7 (NR03-77)x-ray diffractionAZN, OLJ, SO41 (best 0.32)
6PIVCrystal structure of HCV NS3/4A D168A protease in complex with P4-7 (NR03-77)x-ray diffractionAZN, OLJ, SO4—
6PIWCrystal structure of HCV NS3/4A D168A protease in complex with P4-6 (NR03-67)x-ray diffractionAZN, OLV—
6PIWCrystal structure of HCV NS3/4A D168A protease in complex with P4-6 (NR03-67)x-ray diffractionAZN, OLV—
6PIXCrystal structure of HCV NS3/4A D168A protease in complex with P4-P5-5 (WK-25)x-ray diffractionAZN, OLY, SO41 (best 0.33)
6PIXCrystal structure of HCV NS3/4A D168A protease in complex with P4-P5-5 (wk-25)x-ray diffractionAZN, OLY, SO4—
6PIYCrystal structure of HCV NS3/4A D168A protease in complex with P4-2 (NR02-61)x-ray diffractionAOMS, ZN, SO42 (best 0.39)
6PIYCrystal structure of HCV NS3/4A D168A protease in complex with P4-2 (NR02-61)x-ray diffractionAOMS, ZN, SO4—
6PIZCrystal structure of HCV NS3/4A D168A protease in complex with P4-1 (NR02-24)x-ray diffractionASO4, ON4, ZN1 (best 0.32)
6PIZCrystal structure of HCV NS3/4A D168A protease in complex with P4-1 (NR02-24)x-ray diffractionASO4, ON4, ZN—
6PJ0Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97)x-ray diffractionAOMV, ZN, SO4—
6PJ0Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97)x-ray diffractionAOMV, ZN, SO4—
6PJ1Crystal structure of HCV NS3/4A D168A protease in complex with P4-4(AJ-74)x-ray diffractionAZN, GKM, SO42 (best 0.41)
6PJ1Crystal structure of HCV NS3/4A D168A protease in complex with P4- 4(AJ-74)x-ray diffractionAZN, GKM, SO4—
6PJ2Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65)x-ray diffractionAZN, OM7, SO4—
6PJ2Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (aj-65)x-ray diffractionAZN, OM7, SO4—
6VDOHCV NS3/4A protease A156T, D168E double mutantx-ray diffractionAZN, SO4—
6VDOHCV NS3/4A protease A156T, D168E double mutantx-ray diffractionAZN, SO4—
7L7NCrystal structure of HCV NS3/4A D168A protease in complex with NR02-59x-ray diffractionAZN, XSV, SO41 (best 0.31)
7L7NCrystal structure of HCV NS3/4A D168A protease in complex with NR02-59x-ray diffractionAZN, XSV, SO4—
7MM2Crystal structure of HCV NS3/4A protease in complex with NR02-61x-ray diffractionAOMS, ZN, SO43 (best 0.39)
7MM2Crystal structure of HCV NS3/4A protease in complex with NR02-61x-ray diffractionAOMS, ZN, SO4—
7MM3Crystal structure of HCV NS3/4A protease in complex with NR01-127x-ray diffractionAZN, ZJG, SO41 (best 0.32)
7MM3Crystal structure of HCV NS3/4A protease in complex with NR01-127x-ray diffractionAZN, ZJG, SO4—
7MM4Crystal structure of HCV NS3/4A protease in complex with NR01-115x-ray diffractionAZN, ZKA, SO41 (best 0.30)
7MM4Crystal structure of HCV NS3/4A protease in complex with NR01-115x-ray diffractionAZN, ZKA, SO4—
7MM5Crystal structure of HCV NS3/4A protease in complex with NR02-60x-ray diffractionAZN, ZK4, SO42 (best 0.39)
7MM5Crystal structure of HCV NS3/4A protease in complex with NR02-60x-ray diffractionAZN, ZK4, SO4—
7MM6Crystal structure of HCV NS3/4A protease in complex with NR02-49x-ray diffractionAZN, ZJY, SO41 (best 0.28)
7MM6Crystal structure of HCV NS3/4A protease in complex with NR02-49x-ray diffractionAZN, ZJY, SO4—
7MM7Crystal structure of HCV NS3/4A protease in complex with NR02-23x-ray diffractionAZJV, ZN, SO41 (best 0.31)
7MM7Crystal structure of HCV NS3/4A protease in complex with NR02-23x-ray diffractionAZJV, ZN, SO4—
7MM8Crystal structure of HCV NS3/4A protease in complex with NR02-08x-ray diffractionAZN, ZJM, SO41 (best 0.31)
7MM8Crystal structure of HCV NS3/4A protease in complex with NR02-08x-ray diffractionAZN, ZJM, SO4—
7MM9Crystal structure of HCV NS3/4A protease in complex with NR01-149x-ray diffractionAZN, ZJJ, SO41 (best 0.32)
7MM9Crystal structure of HCV NS3/4A protease in complex with NR01-149x-ray diffractionAZN, ZJJ, SO4—

12 records more on the page itself.

Ligands

  • ZN · Zinc ion · in 72 records
  • SO4 · Sulfate ion · in 66 records
  • GKA · (2r,6s,12z,13as,14ar,16as)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl) oxy]-N-[(1-methylcyclopropyl)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]diazacyclopentadecine-14A(5H)-carboxamide · in 4 records
  • GKG · 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as, 14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 4 records
  • GKM · 1-methylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 4 records
  • OMS · 1-methylcyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 4 records
  • ZJG · Cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1, 2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl}carbamate · in 4 records
  • ZJJ · 3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1, 2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl}carbamate · in 4 records
  • ZJM · (1R,2R)-2-fluorocyclopentyl {(2r,4s,6s,12z,13as,14ar, 16AS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl}carbamate · in 4 records
  • ZKA · (1-methylcyclopropyl)methyl {(2r,4s,6s,12z,13as,14ar, 16AS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl}carbamate · in 4 records
  • ZKJ · (2R)-1,1,1-trifluoropropan-2-yl {(2r,4r,6s,12z,13as, 14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl}carbamate · in 4 records
  • 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 · in 2 records
  • FH4 · 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 · in 2 records
  • FHD · 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl) sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide · in 2 records
  • GK7 · Methyl [(2S)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate · in 2 records
  • GKJ · Pentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 2 records
  • OL7 · Methyl [(1S)-1-cyclohexyl-2-{[(2r,6s,12z,13as,14ar, 16AS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate · in 2 records
  • OLJ · (1R,3R,5S)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as, 14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 2 records
  • OLV · Cyclohexyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6- yl]carbamate · in 2 records
  • OLY · Methyl (1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl) carbamate · in 2 records
  • OM7 · (2r,6s,12z,13as,14ar,16as)-6-[(N-acetyl-L-isoleucyl) amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)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]diazacycl opentadecine-14A(5H)-carboxamide · in 2 records
  • OMV · 1-ethylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 2 records
  • ON4 · 1-methylcyclopropyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2, 3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 2 records
  • TSV · (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate · in 2 records
  • XSV · 1-(trifluoromethyl)cyclobutyl [(2r,6s,12z,13as,14ar, 16AS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14A-{[(1-methylcyclopropyl) sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11, 13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl]carbamate · in 2 records
  • ZJV · (2S)-1,1,1-trifluoropropan-2-yl {(2r,4s,6s,12z,13as, 14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecin-6-yl}carbamate · in 2 records
  • ZJY · [1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z, 13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl) carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14, 14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate · in 2 records
  • ZK4 · (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z, 13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-[(1-methylcyclopropane-1-sulfonyl) carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13A,14, 14A,15,16,16A-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate · in 2 records

Elsewhere

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