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7FR8	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer Descriptor: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR1	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928 Descriptor: 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FRB	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer Descriptor: 1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR4	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer Descriptor: 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide, DIMETHYL SULFOXIDE, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR3	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer Descriptor: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR9	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370 Descriptor: N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FRC	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer Descriptor: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FRD	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer Descriptor: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2022-10-20 Release date: 2022-11-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7H6V	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, CHLORIDE ION, ... 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
7H7D	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z422410426 (CHIKV_MacB-x0721) 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 (1.46 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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
7H88	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134) Descriptor: (1Z)-N-hydroxy-2-methylpropanimidamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 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 (1.68 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H8I	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194) Descriptor: 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 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 (1.65 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H8W	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z19674820 (CHIKV_MacB-x1316) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ... 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 (1.42 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H9B	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, CHLORIDE ION, ... 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 (1.61 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H6Q	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312) Descriptor: 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 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 (1.35 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H7E	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732) 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 (1.4 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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
7H81	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z940713508 (CHIKV_MacB-x1114) 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 (1.49 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H8F	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57299966 (CHIKV_MacB-x1183) Descriptor: (1-methyl-1H-benzimidazol-2-yl)methanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 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 (1.42 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H8V	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31725206 (CHIKV_MacB-x1315) 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 (1.38 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H9A	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56899125 (CHIKV_MacB-x1410) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-fluoro-1,3-benzothiazol-2-amine, CHLORIDE ION, ... 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 (1.63 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H6K	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, CHLORIDE ION, ... 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 (1.33 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H70	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1400796579 (CHIKV_MacB-x0436) Descriptor: (3S)-3-(cyclohexylmethyl)piperazin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 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 (1.39 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H7G	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z50145861 (CHIKV_MacB-x0760) Descriptor: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 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 (1.37 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published

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