7H4J
 
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z53825020 (A71EV2A-x0875) | | Descriptor: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid, 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, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7H3N
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z851110644 (A71EV2A-x0446) | | Descriptor: | DIMETHYL SULFOXIDE, N,2-dimethyl-1,3-thiazole-5-carboxamide, 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, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7H49
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z2064898339 (A71EV2A-x0608) | | Descriptor: | 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, 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, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7H4C
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z954606858 (A71EV2A-x0719) | | Descriptor: | (2S)-2-phenylpropane-1-sulfonamide, 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, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7H4H
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z32367954 (A71EV2A-x0853) | | Descriptor: | DIMETHYL SULFOXIDE, 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, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7H1R
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270758780 | | Descriptor: | 4-(aminomethyl)-N,N-dimethylpyridin-2-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2M
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228586974 | | Descriptor: | (3-fluorophenyl)(piperazin-1-yl)methanone, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.712 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H23
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1148747945 | | Descriptor: | DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)acetamide, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.492 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2O
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257 | | Descriptor: | DIMETHYL SULFOXIDE, N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.707 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2L
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z19755216 | | Descriptor: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.366 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1U
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z212053854 | | Descriptor: | 1,2,3,4-tetrahydro-1,5-naphthyridine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H28
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1216833237 | | Descriptor: | DIMETHYL SULFOXIDE, N-methylisoquinolin-1-amine, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1L
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0087 | | Descriptor: | (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.535 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H27
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1203191681 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(1H-imidazol-2-yl)methyl]acetamide, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2Q
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270760338 | | Descriptor: | DIMETHYL SULFOXIDE, N,N-dimethylpiperazine-1-carboxamide, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.526 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2B
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1272517105 | | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1H
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1201620232 | | Descriptor: | 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.684 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2K
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z18769001 | | Descriptor: | (2S)-2-(2-cyanophenoxy)propanamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.595 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2E
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1428159350 | | Descriptor: | (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1X
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z53833304 | | Descriptor: | 1-ethyl-1H-benzimidazole, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1K
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57122377 | | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.505 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1I
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z336080990 | | Descriptor: | DIMETHYL SULFOXIDE, N-(propan-2-yl)-1H-benzimidazol-2-amine, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.414 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1Z
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198149728 | | Descriptor: | 4-ethenyl-1H-imidazole, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2H
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1575274523 | | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.419 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1Y
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57493554 | | Descriptor: | 4-(aminomethyl)-1-methylpyridinium, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.371 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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