5RU0
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514 | 分子名称: | (2,6-DICHLOROPHENYL)ACETIC 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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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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5RUH
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600 | 分子名称: | (2,6-dichlorophenoxy)acetic 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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5RT0
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714 | 分子名称: | 6-methyl-1H-indole-2-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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5RUY
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187 | 分子名称: | Non-structural protein 3, XANTHINE | 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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5RTH
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863 | 分子名称: | 3-chlorobenzoate, 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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5RVE
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000736709772 | 分子名称: | Non-structural protein 3, {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic 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 (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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5RTZ
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062 | 分子名称: | 3-FLUORO-4-HYDROXYBENZOIC 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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5RUF
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831 | 分子名称: | 6-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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5RUV
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194 | 分子名称: | 1-(pyridin-2-yl)-1,4-diazepane, 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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5RVB
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577 | 分子名称: | 2-aminopteridine-4,7(3H,8H)-dione, 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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5RSE
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000336438345 | 分子名称: | 4-[(3R)-3-fluoropiperidin-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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5RT2
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361 | 分子名称: | 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic 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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5RSR
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158650 | 分子名称: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE, 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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5RT5
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000058111 | 分子名称: | 7-hydroxy-2H-chromen-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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5RTW
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777 | 分子名称: | (2-HYDROXYPHENYL)ACETIC 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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5RTL
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388056 | 分子名称: | 4-methylbenzenesulfonamide, 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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5RUC
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878 | 分子名称: | NICOTINAMIDE, 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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5RU2
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715 | 分子名称: | 2-phenoxyethanoic 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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5RUR
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334 | 分子名称: | 6-fluoro-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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5RSN
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576 | 分子名称: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic 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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5RSF
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281 | 分子名称: | 9-methyl-9H-purine-2,6-diamine, 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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5RTK
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504 | 分子名称: | 1,3-benzodioxol-5-ol, 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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5RSX
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262 | 分子名称: | 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, DIMETHYL SULFOXIDE, 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
| 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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