Legacy flatfile-incompatible PDB entries

7HQ8	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_95 Descriptor: (3R)-1-(2-fluoroethyl)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-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 (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQ9	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_45 Descriptor: (5S)-5-{[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-4,4-dimethylpyrrolidin-2-one, 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
7HQA	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1716_34 Descriptor: 4-{[(2-fluoro-5-hydroxyphenyl)methyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 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 (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQB	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1705_4 Descriptor: Non-structural protein 3, [(5S)-7-(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-5-yl]methanol 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
7HQC	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_6 Descriptor: 5-ethyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 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 (0.98 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQD	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_48 Descriptor: Non-structural protein 3, phenyl(4-{[(9H-purin-6-yl)sulfanyl]methyl}phenyl)methanone 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
7HQE	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_79 Descriptor: 7-fluoro-N-[(3R)-oxolan-3-yl]-9H-pyrimido[4,5-b]indol-4-amine, 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 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQF	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_16 Descriptor: 6-({[3-(difluoromethyl)phenyl]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
7HQG	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_97 Descriptor: 6-{[(3-chloro-4-fluorophenyl)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 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQH	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_71 Descriptor: (3R)-3-[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]-N-methylbutanamide, 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
7HQI	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_88 Descriptor: 3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol, 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
7HQJ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_48 Descriptor: N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-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 (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQK	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1702_58 Descriptor: N'-(3,5-dichloro-4-methylbenzene-1-sulfonyl)-2-hydroxybenzohydrazide, 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
7HQL	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_78 Descriptor: 3-{2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]ethyl}-1,3-oxazolidin-2-one, 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
7HQM	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_76 Descriptor: (4R)-4-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1-propylpyrrolidin-2-one, 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 (0.97 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQN	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_32 Descriptor: 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid, 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 (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQO	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_89 Descriptor: (1R)-1-{1-[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopropyl}-2-methoxyethan-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 (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQP	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_9 Descriptor: 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-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 (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7HQY	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1117899682 Descriptor: 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... Authors: Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. Deposit date: 2024-12-23 Release date: 2025-08-13 Method: X-RAY DIFFRACTION (1.677 Å) Cite: PanDDA analysis group deposition To Be Published
7HRN	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z31721188 Descriptor: (3-hydroxyphenyl)(morpholin-4-yl)methanone, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... Authors: Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. Deposit date: 2024-12-23 Release date: 2025-08-13 Method: X-RAY DIFFRACTION (1.657 Å) Cite: PanDDA analysis group deposition To Be Published
7HRX	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z100449516 Descriptor: Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ~{N}-(furan-2-ylmethyl)-2-methyl-furan-3-carboxamide Authors: Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. Deposit date: 2024-12-23 Release date: 2025-08-13 Method: X-RAY DIFFRACTION (1.69 Å) Cite: PanDDA analysis group deposition To Be Published
7HRY	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1101755952 Descriptor: Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, SULFATE ION, ... Authors: Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. Deposit date: 2024-12-23 Release date: 2025-08-13 Method: X-RAY DIFFRACTION (2.229 Å) Cite: PanDDA analysis group deposition To Be Published
7HS1	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1206890404 Descriptor: (3R)-3-(methylamino)-1-phenylpiperidin-2-one, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic Authors: Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. Deposit date: 2024-12-23 Release date: 2025-08-13 Method: X-RAY DIFFRACTION (2.48 Å) Cite: PanDDA analysis group deposition To Be Published
7HS3	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1216833237 Descriptor: N-methylisoquinolin-1-amine, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... Authors: Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. Deposit date: 2024-12-23 Release date: 2025-08-13 Method: X-RAY DIFFRACTION (1.829 Å) Cite: PanDDA analysis group deposition To Be Published
7HS4	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1216861874 Descriptor: 5-(difluoromethoxy)pyridin-2(1H)-one, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... Authors: Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. Deposit date: 2024-12-23 Release date: 2025-08-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: PanDDA analysis group deposition To Be Published

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