Legacy flatfile-incompatible PDB entries

7HPJ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_28 Descriptor: (1R,2S)-2-[(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPK	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_79 Descriptor: (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanol, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPL	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_8 Descriptor: 4-[3-(1H-pyrazol-1-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPM	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_42 Descriptor: (2S)-1-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol, DIMETHYL SULFOXIDE, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.98 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPN	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_87 Descriptor: Non-structural protein 3, [(3R)-3-(propan-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPO	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1695_15 Descriptor: (3R)-1-(5-cyanopyridin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPP	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1695_54 Descriptor: (1S,2S)-N-[3,5-difluoro-4-(methanesulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_25 Descriptor: 4-[(2,4,6-trifluorophenyl)sulfanyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPR	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_50 Descriptor: (1S,6R)-10-(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,10-diazabicyclo[4.3.1]decan-4-one, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.04 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPS	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_83 Descriptor: 1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPT	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_72 Descriptor: 9-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine, DIMETHYL SULFOXIDE, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.97 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1718_59 Descriptor: (3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]piperidine-2,6-dione, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPV	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1879_22 Descriptor: N-(2-acetamido-1,3-thiazole-5-sulfonyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPW	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_56 Descriptor: 4-{[(1R)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPX	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_92 Descriptor: 7-fluoro-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-9H-pyrimido[4,5-b]indol-4-amine, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPY	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_91 Descriptor: (1s,3s)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylcyclobutan-1-ol, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HPZ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1705_34 Descriptor: 6-cyclopropyl-N-{[(3S)-3-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]methyl}pyridine-2-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ0	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_49 Descriptor: 2-(5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carbonyl)-6-cyclopropyl-1lambda~6~,2,6-thiadiazinane-1,1-dione, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ1	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_67 Descriptor: 4-bromo-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pent-4-enamide, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ2	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_92 Descriptor: N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3-dimethylbutanamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ3	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1709_75 Descriptor: 2-bromo-3-fluoro-4-[(propan-2-yl)oxy]-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide, DIMETHYL SULFOXIDE, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.97 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ4	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_78 Descriptor: 3-{(3R)-3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butyl}-1,3-oxazolidin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ5	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_85 Descriptor: (1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-N-methylcyclohexane-1-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ6	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1702_11 Descriptor: (4R)-N-[(1s,4S)-4-(3-hydroxy-2-methylbenzamido)cyclohexyl]imidazo[1,2-a]pyrimidine-7-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ7	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_26 Descriptor: 6-{[(3-ethylphenyl)methyl]sulfanyl}-9H-purine, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-12-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

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