5RVH
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![BU of 5rvh by Molmil](/molmil-images/mine/5rvh) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642 | 分子名称: | Non-structural protein 3, quinoline-3-carboxylic acid | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S3W
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![BU of 5s3w by Molmil](/molmil-images/mine/5s3w) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0135 | 分子名称: | (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid, Non-structural protein 3 | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | 登録日 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (0.987 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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8A55
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![BU of 8a55 by Molmil](/molmil-images/mine/8a55) | |
5RU5
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![BU of 5ru5 by Molmil](/molmil-images/mine/5ru5) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000098208711 | 分子名称: | 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUL
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![BU of 5rul by Molmil](/molmil-images/mine/5rul) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774 | 分子名称: | 4,6-dimethylpyrimidin-2-amine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUZ
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![BU of 5ruz by Molmil](/molmil-images/mine/5ruz) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960 | 分子名称: | 4-(1H-pyrazol-3-yl)piperidine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RVD
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![BU of 5rvd by Molmil](/molmil-images/mine/5rvd) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802 | 分子名称: | 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RSD
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![BU of 5rsd by Molmil](/molmil-images/mine/5rsd) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945 | 分子名称: | Non-structural protein 3, quinazolin-4-amine | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RST
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![BU of 5rst by Molmil](/molmil-images/mine/5rst) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673 | 分子名称: | 5-hydroxypyridine-3-carboxylic acid, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RT8
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![BU of 5rt8 by Molmil](/molmil-images/mine/5rt8) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908 | 分子名称: | 1,2-benzoxazol-3-amine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RTN
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![BU of 5rtn by Molmil](/molmil-images/mine/5rtn) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509 | 分子名称: | 2-AMINOQUINAZOLIN-4(3H)-ONE, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RU3
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![BU of 5ru3 by Molmil](/molmil-images/mine/5ru3) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161696 | 分子名称: | 2-fluoro-4-hydroxybenzonitrile, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RV0
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![BU of 5rv0 by Molmil](/molmil-images/mine/5rv0) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994 | 分子名称: | N-(1,3-thiazol-2-yl)benzamide, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RVG
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![BU of 5rvg by Molmil](/molmil-images/mine/5rvg) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 | 分子名称: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RSL
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![BU of 5rsl by Molmil](/molmil-images/mine/5rsl) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868 | 分子名称: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RT1
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![BU of 5rt1 by Molmil](/molmil-images/mine/5rt1) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810 | 分子名称: | 2,3-dihydro-1-benzofuran-5-carboxylic acid, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RTX
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![BU of 5rtx by Molmil](/molmil-images/mine/5rtx) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873 | 分子名称: | 3,5-dichlorobenzene-1-sulfonamide, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUD
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![BU of 5rud by Molmil](/molmil-images/mine/5rud) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114 | 分子名称: | 4-chloro-1,3-benzothiazol-2-amine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUW
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![BU of 5ruw by Molmil](/molmil-images/mine/5ruw) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000045014941 | 分子名称: | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RVC
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![BU of 5rvc by Molmil](/molmil-images/mine/5rvc) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000933940912 | 分子名称: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RU1
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![BU of 5ru1 by Molmil](/molmil-images/mine/5ru1) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687 | 分子名称: | DIPHENYLACETIC ACID, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUI
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![BU of 5rui by Molmil](/molmil-images/mine/5rui) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651 | 分子名称: | Non-structural protein 3, isoquinolin-1(2H)-one | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUX
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![BU of 5rux by Molmil](/molmil-images/mine/5rux) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050 | 分子名称: | 1,3-dihydro-2H-indol-2-one, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RVF
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![BU of 5rvf by Molmil](/molmil-images/mine/5rvf) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3 | 分子名称: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RSJ
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![BU of 5rsj by Molmil](/molmil-images/mine/5rsj) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3 | 分子名称: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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