7HCW
 
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7HCX
 
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7HCY
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003701 | Descriptor: | (1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol, CHLORIDE ION, Non-structural protein 3, ... | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | 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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7HCZ
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003702 | Descriptor: | CHLORIDE ION, Non-structural protein 3, [(8R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]methanol, ... | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | 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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7HD0
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003703 | Descriptor: | (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol, CHLORIDE ION, Non-structural protein 3, ... | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | 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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7HD1
 
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7HD2
 
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7HD3
 
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7HD4
 
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7HD5
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003709 | Descriptor: | (2R)-3-(benzyloxy)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(benzyloxy)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, ... | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | 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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7HD6
 
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7HD7
 
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7HD8
 
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7HD9
 
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7HDA
 
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7HDB
 
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7HDC
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003718 | Descriptor: | (1R,2R)-1-(4-chlorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propane-1,3-diol, (1R,2S)-1-(4-chlorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propane-1,3-diol, CHLORIDE ION, ... | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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7HDD
 
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7HDE
 
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7HDF
 
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7HDG
 
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7HDH
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003726 | Descriptor: | Non-structural protein 3, [(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol, [(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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7HDI
 
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7HDJ
 
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7HDK
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003730 | Descriptor: | (2S,3R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butane-1,3-diol, CHLORIDE ION, Non-structural protein 3, ... | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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