7FV6
| PanDDA analysis group deposition -- PHIP in complex with Z1334218055 | Descriptor: | N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVR
| PanDDA analysis group deposition -- PHIP in complex with Z166737374 | Descriptor: | 4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FUZ
| PanDDA analysis group deposition -- PHIP in complex with Z4307421429 | Descriptor: | N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVB
| PanDDA analysis group deposition -- PHIP in complex with Z6617539657 | Descriptor: | N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVF
| PanDDA analysis group deposition -- PHIP in complex with Z123605878 | Descriptor: | N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FV0
| PanDDA analysis group deposition -- PHIP in complex with Z44602337 | Descriptor: | 4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVH
| PanDDA analysis group deposition -- PHIP in complex with Z5067911819 | Descriptor: | (2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVK
| PanDDA analysis group deposition -- PHIP in complex with Z409964562 | Descriptor: | 4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GQH
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1509711879 | Descriptor: | 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.41 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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7GO5
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198275935 | Descriptor: | 6,8-bis(fluoranyl)chromene, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 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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7GOQ
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z220996120 | Descriptor: | DIMETHYL SULFOXIDE, N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.3 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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7GPE
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z760031264 | Descriptor: | 4-(1,2,4-oxadiazol-5-yl)aniline, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.52 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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7GPK
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z905434478 | Descriptor: | 1-[(thiophen-3-yl)methyl]piperidin-4-ol, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.39 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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7GPX
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00024661 | Descriptor: | 5-bromo-2-hydroxybenzonitrile, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.2 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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7GQ1
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z166605460 | Descriptor: | Protease 3C, thiophene-3-carboxylic acid | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.32 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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7GQ9
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z281773378 | Descriptor: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | 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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7GQG
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z228589380 | Descriptor: | 3-[(pyrimidin-2-yl)amino]benzoic acid, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.3 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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7GNV
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z104474228 | Descriptor: | 3-methylthiophene-2-carboxylic acid, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.42 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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7GO0
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1137725943 | Descriptor: | DIMETHYL SULFOXIDE, N-[(1H-indol-4-yl)methyl]ethanamine, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.55 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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7GO2
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1182328459 | Descriptor: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.34 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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7GO9
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1266933824 | Descriptor: | (1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | 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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7GOB
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1295863442 | Descriptor: | 3-fluoro-5-methylbenzene-1-sulfonamide, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.45 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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7GOF
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z137811222 | Descriptor: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 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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7GOG
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1398461996 | Descriptor: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.39 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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7GOH
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1439422127 | Descriptor: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.52 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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