4QJ6
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![BU of 4qj6 by Molmil](/molmil-images/mine/4qj6) | |
4QJ9
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![BU of 4qj9 by Molmil](/molmil-images/mine/4qj9) | |
4QJ7
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![BU of 4qj7 by Molmil](/molmil-images/mine/4qj7) | |
6UE3
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![BU of 6ue3 by Molmil](/molmil-images/mine/6ue3) | |
6VDN
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![BU of 6vdn by Molmil](/molmil-images/mine/6vdn) | HCV NS3/4A protease A156T mutant | Descriptor: | GLYCEROL, Non-structural protein 4A, Serine protease NS3, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | apo HCV protease A156T To Be Published
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6VDL
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![BU of 6vdl by Molmil](/molmil-images/mine/6vdl) | HCV NS3/4A protease A156T mutant in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs To Be Published
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6VDM
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![BU of 6vdm by Molmil](/molmil-images/mine/6vdm) | HCV NS3/4A protease A156T, D168E double mutant in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs To Be Published
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6VDO
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![BU of 6vdo by Molmil](/molmil-images/mine/6vdo) | |
6W6Q
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![BU of 6w6q by Molmil](/molmil-images/mine/6w6q) | WT HTLV-1 Protease in Complex with Darunavir (DRV) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HTLV-1 Protease | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | To Be Determined To Be Published
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6W6T
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![BU of 6w6t by Molmil](/molmil-images/mine/6w6t) | WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | To Be Determined To Be Published
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6W6R
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![BU of 6w6r by Molmil](/molmil-images/mine/6w6r) | WT HTLV-1 Protease in Complex with UMass6 (UM6) | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, HTLV-1 Protease | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | To Be Determined To Be Published
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6W6S
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![BU of 6w6s by Molmil](/molmil-images/mine/6w6s) | WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) | Descriptor: | HTLV-1 Protease, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | To Be Determined To Be Published
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6WEX
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![BU of 6wex by Molmil](/molmil-images/mine/6wex) | Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H6 Hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | Authors: | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | Deposit date: | 2020-04-03 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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6WEZ
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![BU of 6wez by Molmil](/molmil-images/mine/6wez) | Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H3 Hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | Authors: | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | Deposit date: | 2020-04-03 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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6WF0
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![BU of 6wf0 by Molmil](/molmil-images/mine/6wf0) | Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H3 Hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | Deposit date: | 2020-04-03 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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6WF1
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![BU of 6wf1 by Molmil](/molmil-images/mine/6wf1) | Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H10 Hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | Authors: | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | Deposit date: | 2020-04-03 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.19 Å) | Cite: | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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2MZZ
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![BU of 2mzz by Molmil](/molmil-images/mine/2mzz) | NMR structure of APOBEC3G NTD variant, sNTD | Descriptor: | Apolipoprotein B mRNA-editing enzyme, catalytic polypeptide-like 3G variant, ZINC ION | Authors: | Kouno, T, Luengas, E.M, Shigematu, M, Shandilya, S.M.D, Zhang, J, Chen, L, Hara, M, Schiffer, C.A, Harris, R.S, Matsuo, H. | Deposit date: | 2015-02-28 | Release date: | 2015-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Vif-binding domain of the antiviral enzyme APOBEC3G. Nat.Struct.Mol.Biol., 22, 2015
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6CVX
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![BU of 6cvx by Molmil](/molmil-images/mine/6cvx) | 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
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2NXM
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![BU of 2nxm by Molmil](/molmil-images/mine/2nxm) | |
6CVY
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![BU of 6cvy by Molmil](/molmil-images/mine/6cvy) | 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
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6CVW
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![BU of 6cvw by Molmil](/molmil-images/mine/6cvw) | 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
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2NXL
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![BU of 2nxl by Molmil](/molmil-images/mine/2nxl) | |
2NXD
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![BU of 2nxd by Molmil](/molmil-images/mine/2nxd) | |
6C2O
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![BU of 6c2o by Molmil](/molmil-images/mine/6c2o) | 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
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6C2M
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![BU of 6c2m by Molmil](/molmil-images/mine/6c2m) | 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
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