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PDB: 15 results
5VP9
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BU of 5vp9 by Molmil
Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Descriptor: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2017-05-04
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
5VOJ
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BU of 5voj by Molmil
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
Descriptor: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
6C2M
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BU of 6c2m by Molmil
Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172
Descriptor: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, SULFATE ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To Be Published
6CVY
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BU of 6cvy by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-21 (MK-5172 linear analogue)
Descriptor: 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, GLYCEROL, NS3 protease, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
6CVW
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BU of 6cvw by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-52 (MK-5172 linear analogue)
Descriptor: 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, NS3 protease, SULFATE ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
6DIS
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BU of 6dis by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71)
Descriptor: 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, GLYCEROL, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.921 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIQ
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BU of 6diq by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23)
Descriptor: GLYCEROL, NS3 protease, SULFATE ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIW
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BU of 6diw by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71)
Descriptor: 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, GLYCEROL, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6CVX
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BU of 6cvx by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue)
Descriptor: GLYCEROL, 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, NS3 protease, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
6C2O
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BU of 6c2o by Molmil
Crystal structure of HCV NS3/4A protease variant Y56H in complex with danoprevir
Descriptor: (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, GLYCEROL, NS3 protease, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To be Published
6C2N
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BU of 6c2n by Molmil
Crystal structure of HCV NS3/4A double mutant variant Y56H/D168A in complex with danoprevir
Descriptor: (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, NS4A COFACTOR-NS3 PROTEIN CHIMERA, SULFATE ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To Be Published
6DIR
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BU of 6dir by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67)
Descriptor: (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, NS3 protease, SULFATE ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIV
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BU of 6div by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67)
Descriptor: (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, GLYCEROL, NS3 protease, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIU
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BU of 6diu by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74)
Descriptor: 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, GLYCEROL, NS3 protease, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIT
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BU of 6dit by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19)
Descriptor: NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published

227111

數據於2024-11-06公開中

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