UniProt A8DG50
NS3/4A protease (A8DG50)
NS3/4A protease (UniProt A8DG50), EC 3.4.21.98: 71 experimental structures on GenesisL1, 14 ligands bound, 18 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- A8DG50
- Protein
- NS3/4A protease
- EC
- 3.4.21.98
- Experimental structures
- 71
- Predicted models
- 0
- Ligands
- 14
- Pockets
- 18 · 1 record with a druggable one
Structures
71 records of A8DG50 in the MolNFT archive: 71 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3M5L | Crystal structure of HCV NS3/4A protease in complex with ITMN-191 | x-ray diffraction | A | — | — |
| 3M5L | Crystal structure of HCV NS3/4A protease in complex with itmn-191 | x-ray diffraction | A | — | — |
| 3M5M | Avoiding drug resistance against HCV NS3/4A protease inhibitors | x-ray diffraction | A, B | — | — |
| 3M5M | Avoiding drug resistance against HCV NS3/4A protease inhibitors | x-ray diffraction | A, B | — | — |
| 3M5N | Crystal structure of HCV NS3/4A protease in complex with N-terminal product 4B5A | x-ray diffraction | A, B, C, D | — | — |
| 3M5N | Crystal structure of HCV NS3/4A protease in complex with N-terminal product 4B5A | x-ray diffraction | A, B, C, D | — | — |
| 3M5O | Crystal structure of HCV NS3/4A protease in complex with N-terminal product 5A5B | x-ray diffraction | A, B, C, D | — | — |
| 3M5O | Crystal structure of HCV NS3/4A protease in complex with N-terminal product 5A5B | x-ray diffraction | A, B | — | — |
| 3RC6 | Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease | x-ray diffraction | A | — | — |
| 3RC6 | Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease | x-ray diffraction | A | — | — |
| 3SU0 | Crystal structure of NS3/4A protease variant R155K in complex with danoprevir | x-ray diffraction | A | — | — |
| 3SU0 | Crystal structure of NS3/4A protease variant R155K in complex with danoprevir | x-ray diffraction | A | — | — |
| 3SU1 | Crystal structure of NS3/4A protease variant D168A in complex with danoprevir | x-ray diffraction | A | — | — |
| 3SU1 | Crystal structure of NS3/4A protease variant D168A in complex with danoprevir | x-ray diffraction | A | — | — |
| 3SU2 | Crystal structure of NS3/4A protease variant A156T in complex with danoprevir | x-ray diffraction | A | — | — |
| 3SU2 | Crystal structure of NS3/4A protease variant A156T in complex with danoprevir | x-ray diffraction | A | — | — |
| 3SU3 | Crystal structure of NS3/4A protease in complex with vaniprevir | x-ray diffraction | A | — | — |
| 3SU3 | Crystal structure of NS3/4A protease in complex with vaniprevir | x-ray diffraction | A | — | — |
| 3SU4 | Crystal structure of NS3/4A protease variant R155K in complex with vaniprevir | x-ray diffraction | A, B | — | — |
| 3SU4 | Crystal structure of NS3/4A protease variant R155K in complex with vaniprevir | x-ray diffraction | A, B | — | — |
| 3SU5 | Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir | x-ray diffraction | A | — | — |
| 3SU5 | Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir | x-ray diffraction | A | — | — |
| 3SU6 | Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir | x-ray diffraction | A | — | — |
| 3SU6 | Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir | x-ray diffraction | A | — | — |
| 3SUD | Crystal structure of NS3/4A protease in complex with MK-5172 | x-ray diffraction | A, B, C, D | — | — |
| 3SUD | Crystal structure of NS3/4A protease in complex with mk-5172 | x-ray diffraction | A, B, C, D | — | — |
| 3SUE | Crystal structure of NS3/4A protease variant R155K in complex with MK-5172 | x-ray diffraction | A, B, C, D | — | — |
| 3SUE | Crystal structure of NS3/4A protease variant R155K in complex with mk- 5172 | x-ray diffraction | A, B, C, D | — | — |
| 3SUF | Crystal structure of NS3/4A protease variant D168A in complex with MK-5172 | x-ray diffraction | A, B, C, D | — | — |
| 3SUF | Crystal structure of NS3/4A protease variant D168A in complex with mk- 5172 | x-ray diffraction | A, B, C, D | — | — |
| 3SUG | Crystal structure of NS3/4A protease variant A156T in complex with MK-5172 | x-ray diffraction | A | — | — |
| 3SUG | Crystal structure of NS3/4A protease variant A156T in complex with mk- 5172 | x-ray diffraction | A | — | — |
| 3SV6 | Crystal structure of NS3/4A protease in complex with Telaprevir | x-ray diffraction | A | — | — |
| 3SV6 | Crystal structure of NS3/4A protease in complex with telaprevir | x-ray diffraction | A | — | — |
| 3SV7 | Crystal structure of NS3/4A protease variant R155K in complex with Telaprevir | x-ray diffraction | A | — | — |
| 3SV7 | Crystal structure of NS3/4A protease variant R155K in complex with telaprevir | x-ray diffraction | A | — | — |
| 3SV8 | Crystal structure of NS3/4A protease variant D168A in complex with Telaprevir | x-ray diffraction | A | — | — |
| 3SV8 | Crystal structure of NS3/4A protease variant D168A in complex with telaprevir | x-ray diffraction | A | — | — |
| 3SV9 | Crystal structure of NS3/4A protease variant A156T in complex with Telaprevir | x-ray diffraction | A | — | — |
| 3SV9 | Crystal structure of NS3/4A protease variant A156T in complex with telaprevir | x-ray diffraction | A | — | — |
| 4NWK | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka… | x-ray diffraction | A | — | — |
| 4NWK | Crystal structure of hepatis C virus protease (NS3) complexed with bms-605339 aka… | x-ray diffraction | A | — | — |
| 4NWL | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka… | x-ray diffraction | A, B | — | — |
| 4NWL | Crystal structure of hepatis C virus protease (NS3) complexed with bms-650032 aka… | x-ray diffraction | A, B | — | — |
| 4WH6 | Crystal structure of HCV NS3/4A protease variant R155K in complex with Asunaprevir | x-ray diffraction | A | — | — |
| 4WH6 | Crystal structure of HCV NS3/4A protease variant R155K in complex with asunaprevir | x-ray diffraction | A | — | — |
| 4WH8 | Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog. | x-ray diffraction | A, B | — | — |
| 4WH8 | Crystal structure of HCV NS3/4A protease in complex with an asunaprevir P1-P3 macrocyclic analog. | x-ray diffraction | A, B | — | — |
| 5VOJ | Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3 | x-ray diffraction | A | 9H4, SO4, ZN | 2 (best 0.38) |
| 5VOJ | Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-MCP1P3 | x-ray diffraction | A | 9H4, SO4, ZN | — |
| 5VP9 | Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3 | x-ray diffraction | A | 9H7, SO4, ZN | 3 (best 0.41) |
| 5VP9 | Crystal structure of HCV NS3/4A protease in complex with am-07, an analogue of 5172-MCP1P3 | x-ray diffraction | A | 9H7, SO4, ZN | — |
| 6C2N | Crystal structure of HCV NS3/4A double mutant variant Y56H/D168A in complex with danoprevir | x-ray diffraction | A | ZN, SO4, TSV | 1 (best 0.28) |
| 6C2N | Crystal structure of HCV NS3/4A double mutant variant Y56H/D168A in complex with danoprevir | x-ray diffraction | A | ZN, SO4, TSV | — |
| 7L7L | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-129 | x-ray diffraction | A | ZN, XSS | 2 (best 0.41) |
| 7L7L | Crystal structure of HCV NS3/4A D168A protease in complex with NR01- 129 | x-ray diffraction | A | ZN, XSS | — |
| 7L7O | Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49 | x-ray diffraction | A | ZN, XSY, SO4 | 1 (best 0.32) |
| 7L7O | Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49 | x-ray diffraction | A | ZN, XSY, SO4 | — |
| 7L7P | Crystal structure of HCV NS3/4A D168A protease in complex with ch-24 | x-ray diffraction | A | ZN, XT4, SO4 | — |
| 7MMD | Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-19 | x-ray diffraction | A | ZN, ZJP, SO4 | 1 (best 0.31) |
11 records more on the page itself.
Ligands
- ZN · Zinc ion · in 23 records
- SO4 · Sulfate ion · in 17 records
- 9H4 · Tert-butyl [(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
- 9H7 · Tert-butyl [(2r,6s,12z,13as,14ar,16as)-14A-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-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
- XSS · 1,1,1-trifluoro-2-methylpropan-2-yl [(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
- XSY · (1R,3R,5S)-bicyclo[3.1.0]hexan-3-yl [(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
- ZJP · Cyclopentyl {(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
- 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
- ZK7 · 1-(trifluoromethyl)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 2 records
- ARG · Arginine · in 1 record
- XT4 · Tert-butyl [(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 1 record
Elsewhere
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