7HEZ
 
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7HF0
 
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7HF1
 
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7HF2
 
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7HF3
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004064 | Descriptor: | Non-structural protein 3, [(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol, [(2S,4R)-4-methyl-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 (0.99 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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7HF4
 
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7HF5
 
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7HF6
 
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7HF7
 
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7HF8
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004329 | Descriptor: | (1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-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 (0.99 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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7HF9
 
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7HFA
 
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7HFB
 
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7HFC
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004126 | Descriptor: | 2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol, 2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol, 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 (1.01 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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7HFD
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004127 | Descriptor: | 2-[(1S,3aR,7aS)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-1H-isoindol-1-yl]propan-2-ol, 2-[(1S,3aS,7aR)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-1H-isoindol-1-yl]propan-2-ol, 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 (1.04 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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7HFE
 
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7HFF
 
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7HFG
 
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7HFH
 
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7HFI
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004312 | Descriptor: | (1r,4r)-4-methyl-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2024-08-15 | Release date: | 2025-06-11 | Method: | X-RAY DIFFRACTION (0.99 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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7HFJ
 
 | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004313 | Descriptor: | (1R,4S,5R)-4-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-2-oxabicyclo[3.1.1]heptan-4-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 (0.99 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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7HFK
 
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7HFL
 
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7HFM
 
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7HFN
 
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