7H09
 
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011177-001 | | Descriptor: | (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7H0H
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011204-001 | | Descriptor: | N-ethyl-4-{[(1S)-2-methyl-1-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7H7P
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z32968340 (CHIKV_MacB-x0926) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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7H0X
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013255-001 | | Descriptor: | (4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7H03
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000452-001 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7H7K
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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7FV2
 | | PanDDA analysis group deposition -- PHIP in complex with Z445899798 | | Descriptor: | N-(2-methoxyethyl)-4-(thiophene-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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7FV1
 | | PanDDA analysis group deposition -- PHIP in complex with Z4912742920 | | Descriptor: | PH-interacting protein, tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate | | 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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7FVG
 | | PanDDA analysis group deposition -- PHIP in complex with Z992453336 | | Descriptor: | N-(4-methoxyphenyl)-4-(5-methylfuran-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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7FVI
 | | PanDDA analysis group deposition -- PHIP in complex with Z183306756 | | Descriptor: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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 (1.18 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FVL
 | | PanDDA analysis group deposition -- PHIP in complex with Z4140355932 | | Descriptor: | N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)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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7FVJ
 | | PanDDA analysis group deposition -- PHIP in complex with Z4913873236 | | Descriptor: | (2S)-4-(furan-2-carbonyl)-2-methyl-N-(2,2,2-trifluoroethyl)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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7FVA
 | | PanDDA analysis group deposition -- PHIP in complex with Z4913872963 | | Descriptor: | (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-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 (1.19 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FV9
 | | PanDDA analysis group deposition -- PHIP in complex with Z1004253138 | | Descriptor: | 4-(5-methylfuran-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 (1.17 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FVQ
 | | PanDDA analysis group deposition -- PHIP in complex with Z68576046 | | Descriptor: | N-butyl-4-(thiophene-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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7FVC
 | | PanDDA analysis group deposition -- PHIP in complex with Z495704106 | | Descriptor: | N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)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 (1.18 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FVM
 | | PanDDA analysis group deposition -- PHIP in complex with Z1590917771 | | Descriptor: | 4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)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 (1.26 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FUT
 | | PanDDA analysis group deposition -- PHIP in complex with Z44602357 | | Descriptor: | 4-(furan-2-carbonyl)-N-propylpiperazine-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 (1.18 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FVP
 | | PanDDA analysis group deposition -- PHIP in complex with Z1004277578 | | Descriptor: | N-butyl-4-(5-methylfuran-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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7FUV
 | | PanDDA analysis group deposition -- PHIP in complex with Z183376720 | | Descriptor: | N-cyclopropyl-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 (1.19 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FVN
 | | PanDDA analysis group deposition -- PHIP in complex with Z371875396 | | Descriptor: | N-(propan-2-yl)-4-(thiophene-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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7FUW
 | | PanDDA analysis group deposition -- PHIP in complex with Z961579360 | | Descriptor: | (3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide, 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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7FUX
 | | PanDDA analysis group deposition -- PHIP in complex with Z183480798 | | Descriptor: | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)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 (1.22 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FVO
 | | PanDDA analysis group deposition -- PHIP in complex with Z1435810807 | | Descriptor: | N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-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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7FUY
 | | PanDDA analysis group deposition -- PHIP in complex with Z1284554279 | | Descriptor: | N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-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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