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PDB: 4 results

7L7O
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BU of 7l7o by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49
Descriptor: (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, 1,2-ETHANEDIOL, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2020-12-29
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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, 2021
7L7P
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BU of 7l7p by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with CH-24
Descriptor: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2020-12-29
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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, 2021
7L7L
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BU of 7l7l by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with NR01-129
Descriptor: 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, 1,2-ETHANEDIOL, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2020-12-29
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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, 2021
7L7N
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BU of 7l7n by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with NR02-59
Descriptor: 1,2-ETHANEDIOL, 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, NS3 protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2020-12-29
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite: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, 2021

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