7I21
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am03 | Descriptor: | 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1L
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0000865-003-002 | Descriptor: | DIMETHYL SULFOXIDE, N-(5-amino-2-methylphenyl)-3-methylbenzamide, SULFATE ION, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I22
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Amine4-Ac06 | Descriptor: | DIMETHYL SULFOXIDE, N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide, Serine protease NS3, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1Q
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011753-001-001 | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1S
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012445-001-001 | Descriptor: | DIMETHYL SULFOXIDE, N-(quinolin-8-yl)piperidine-4-carboxamide, SULFATE ION, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1O
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011739-001-002 | Descriptor: | 8-chloroquinolin-4-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1P
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011741-001-001 | Descriptor: | 2-[(2,8-dimethylquinolin-4-yl)oxy]acetamide, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1V
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012625-001-002 | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1K
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011172-001-002 | Descriptor: | 5-chloroquinolin-2-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Phelps, J, Balaji, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1T
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012466-002-003 | Descriptor: | DIMETHYL SULFOXIDE, N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]piperidine-4-carboxamide, Serine protease NS3, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1Z
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid1-Am02 | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1Y
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with 3632-JP-070-004 | Descriptor: | (1s,3s)-3-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclobutane-1-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1W
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with 3632-JP-070-010 | Descriptor: | (1r,4r)-4-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclohexane-1-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1M
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011177-001-002 | Descriptor: | 7,8-dichloro-2-methylquinolin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (2.013 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I1N
 
 | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011710-001-001 | Descriptor: | (5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | Deposit date: | 2025-02-20 | Release date: | 2025-03-05 | Last modified: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7I2X
 
 | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- PanDDA analysis group deposition of ground-state model | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | Deposit date: | 2025-03-06 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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7I3J
 
 | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0036282-001 (A71EV2A-x4472) | Descriptor: | (3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide, Protease 2A, ZINC ION | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F. | Deposit date: | 2025-03-12 | Release date: | 2025-04-02 | Last modified: | 2025-04-09 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre To Be Published
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7I2I
 
 | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1262628644 (DNV2_NS5A-x0472) | Descriptor: | 2-(1H-pyrrol-1-yl)pyridin-3-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | Deposit date: | 2025-03-06 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
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7I28
 
 | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z45527714 (DNV2_NS5A-x0153) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-methylbenzene-1-sulfonamide, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | Deposit date: | 2025-03-06 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
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7I2D
 
 | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z729352906 (DNV2_NS5A-x0258) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | Deposit date: | 2025-03-06 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
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7I2A
 
 | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z54226095 (DNV2_NS5A-x0176) | Descriptor: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | Deposit date: | 2025-03-06 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
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7I42
 
 | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0036431-001 (A71EV2A-x4644) | Descriptor: | (3S)-1-[(2-bromo-3,4-difluorophenyl)acetyl]piperidine-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F. | Deposit date: | 2025-03-12 | Release date: | 2025-04-02 | Last modified: | 2025-04-09 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre To Be Published
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7I4L
 
 | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0036671-001 (A71EV2A-x4712) | Descriptor: | (3S)-N~1~-methyl-N~1~-[2-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F. | Deposit date: | 2025-03-12 | Release date: | 2025-04-02 | Last modified: | 2025-04-09 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre To Be Published
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7I2E
 
 | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z740611958 (DNV2_NS5A-x0264) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | Deposit date: | 2025-03-06 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
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7I29
 
 | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z48847594 (DNV2_NS5A-x0162) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | Deposit date: | 2025-03-06 | Release date: | 2025-04-02 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
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