9D6H
 
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9D6B
 
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9D6G
 
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9D6I
 
 | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-4317 | 分子名称: | (3R)-3-hydroxy-3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thiane-1,1-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-05-21 | 最終更新日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCB
 
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7HCF
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000313 | 分子名称: | (2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, ... | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCH
 
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7HCI
 
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7HCM
 
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7HCD
 
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7HCE
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000002 | 分子名称: | 1-[(1R,6S,8R)-8lambda~4~-thia-7,9-diazatetracyclo[4.3.0.0~1,8~.0~6,8~]nona-2,4-diene-2-sulfonyl]-L-proline, DIMETHYL SULFOXIDE, Non-structural protein 3 | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCQ
 
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7HCP
 
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7HCN
 
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7HCT
 
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7HCC
 
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7HCL
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000341 | 分子名称: | 2-[2-(6-methyl-4-oxothieno[2,3-d][1,2,3]triazin-3(4H)-yl)ethyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, Non-structural protein 3 | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCG
 
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7HCR
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000611 | 分子名称: | (3R)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, (3S)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, ... | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCV
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000610 | 分子名称: | (3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCW
 
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7HCK
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000329 | 分子名称: | (2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide, Non-structural protein 3 | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCO
 
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7HCJ
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000328 | 分子名称: | (2R)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, (2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, Non-structural protein 3 | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2024-08-15 | 公開日 | 2025-06-11 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
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7HCU
 
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