7CZ4
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7C33
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6Z72
| SARS-CoV-2 Macrodomain in complex with ADP-HPM | 分子名称: | 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ... | 著者 | Zorzini, V, Rack, J, Ahel, I. | 登録日 | 2020-05-29 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential. Open Biology, 10, 2020
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6Z5T
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6Z6I
| SARS-CoV-2 Macrodomain in complex with ADP-HPD | 分子名称: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ... | 著者 | Zorzini, V, Rack, J, Ahel, I. | 登録日 | 2020-05-28 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential. Open Biology, 10, 2020
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7KQW
| Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-17 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (0.93 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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7KQP
| Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | 分子名称: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-17 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (0.88 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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7KQO
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7KR0
| Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-18 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.77 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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7KR1
| Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-18 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 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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6LFU
| Poa1p F152A mutant in complex with ADP-ribose | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | 著者 | Chiu, Y.C, Hsu, C.H. | 登録日 | 2019-12-03 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.123 Å) | 主引用文献 | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose Acs Catalysis, 11, 2021
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6LFT
| Poa1p S30A mutant in complex with ADP-ribose | 分子名称: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | 著者 | Chiu, Y.C, Hsu, C.H. | 登録日 | 2019-12-03 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose Acs Catalysis, 11, 2021
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6LFQ
| Crystal structure of Poa1p in apo form | 分子名称: | ADP-ribose 1''-phosphate phosphatase, GLYCEROL | 著者 | Chiu, Y.C, Hsu, C.H. | 登録日 | 2019-12-03 | 公開日 | 2020-12-09 | 最終更新日 | 2022-06-22 | 実験手法 | X-RAY DIFFRACTION (2.359 Å) | 主引用文献 | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose Acs Catalysis, 11, 2021
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6LFS
| Poa1p H23A mutant in complex with ADP-ribose | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | 著者 | Chiu, Y.C, Hsu, C.H. | 登録日 | 2019-12-03 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose Acs Catalysis, 11, 2021
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6LFR
| Poa1p in complex with ADP-ribose | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | 著者 | Chiu, Y.C, Hsu, C.H. | 登録日 | 2019-12-03 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose Acs Catalysis, 11, 2021
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6LH4
| Crystal structural of MacroD1-ADPr complex | 分子名称: | ADP-ribose glycohydrolase MACROD1, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Yang, X, Ma, Y, Li, Y. | 登録日 | 2019-12-06 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation. DNA Repair (Amst), 94, 2020
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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 | 2022-05-25 | 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 | 2022-05-25 | 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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5RTD
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108 | 分子名称: | 3-HYDROXYPICOLINIC 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 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (1.04 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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5RTT
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830 | 分子名称: | 3-(1-methyl-1H-indol-3-yl)propanoic 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 | 2022-05-25 | 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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5RU9
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882 | 分子名称: | 3-AMINOPYRIDINE-4-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 | 2022-05-25 | 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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5RUN
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295 | 分子名称: | 3-(1H-benzimidazol-1-yl)propanoic 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 | 2022-05-25 | 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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5RV5
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948 | 分子名称: | BENZOFURO[3,2-D]PYRIMIDIN-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 | 2022-05-25 | 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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5RVI
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283 | 分子名称: | CHLORZOXAZONE, 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 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (0.94 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 | 2022-05-25 | 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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