Legacy flatfile-incompatible PDB entries

10AD	Cryo-EM structure of the human BK channel bound to the agonist NS1619 Descriptor: 3-[2-oxidanyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1~{H}-benzimidazol-2-one, CALCIUM ION, Isoform 5 of Calcium-activated potassium channel subunit alpha-1, ... Authors: Gonzalez-Sanabria, N, Contreras, G.F, Perozo, E, Latorre, R. Deposit date: 2026-01-08 Release date: 2026-02-04 Last modified: 2026-02-11 Method: ELECTRON MICROSCOPY (3.44 Å) Cite: The BK channel-NS1619 agonist complex reveals molecular insights into allosteric activation gating. Proc.Natl.Acad.Sci.USA, 123, 2026
13RI	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004094 Descriptor: (2R)-3-methyl-2-{[(6P)-6-(thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RJ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004097 Descriptor: (2R)-3-methyl-2-{[(6M)-6-(1H-pyrrol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RK	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004052 Descriptor: (4M)-4-{4-[(2,2-dimethyl-5-oxopyrrolidin-1-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1-methyl-1H-pyrazole-5-carbonitrile, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.03 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RL	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004054 Descriptor: (4P)-4-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RM	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004100 Descriptor: (2R)-3-methyl-2-{[(6P)-6-(1,2-thiazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RN	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004214 Descriptor: (2R)-3-methyl-2-{[(6P)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RO	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004268 Descriptor: (2R)-3-methyl-2-{[(6P)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (0.95 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RP	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004272 Descriptor: (2R)-3-methyl-2-{[6-(pyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (0.95 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004683 Descriptor: (3P)-3-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thiophene-2-carbonitrile, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RR	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004678 Descriptor: (2R)-2-{[(6P)-6-(2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-3-methylbutan-1-ol, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RS	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005707 Descriptor: (4P)-4-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-3-carbonitrile, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (0.94 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RT	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006249 Descriptor: CHLORIDE ION, N-{4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl}-2,2-difluoroacetamide, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006318 Descriptor: (4M)-4-{4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1-methyl-1H-pyrazole-5-carbonitrile, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.11 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RV	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006319 Descriptor: (4M)-1-methyl-4-{4-[(2-oxo-3,8-dioxa-1-azaspiro[4.5]decan-1-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1H-pyrazole-5-carbonitrile, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RW	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006354 Descriptor: 1-[(8-cyclopropyl-9H-pyrimido[4,5-b]indol-4-yl)amino]-5,5-dimethylpyrrolidin-2-one, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.08 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RX	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006344 Descriptor: (4M)-4-(4-{[8-(methanesulfonyl)-2-oxo-3-oxa-1,8-diazaspiro[4.5]decan-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.04 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RY	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006372 Descriptor: 4,4-dimethyl-3-{[8-(trifluoromethyl)-9H-pyrimido[4,5-b]indol-4-yl]amino}-1,3-oxazolidin-2-one, CHLORIDE ION, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2025-10-09 Release date: 2026-01-28 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
13RZ	PanDDA analysis group deposition -- IDOL RING domain in complex with Z1118527729 Descriptor: 2-{[(1R,2R)-2-methylcyclopentyl]amino}ethan-1-ol, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYLIP, ... Authors: Bradshaw, W.J, Guenther, F, Murphy, E.J. Deposit date: 2025-10-10 Release date: 2025-12-10 Method: X-RAY DIFFRACTION (1.66 Å) Cite: PanDDA analysis group deposition To Be Published
13SA	PanDDA analysis group deposition -- IDOL RING domain in complex with Z1251361039 Descriptor: (2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Bradshaw, W.J, Guenther, F, Murphy, E.J. Deposit date: 2025-10-10 Release date: 2025-12-10 Method: X-RAY DIFFRACTION (1.569 Å) Cite: PanDDA analysis group deposition To Be Published
13SD	PanDDA analysis group deposition -- IDOL RING domain in complex with Z1516316257 Descriptor: 3-ethyl-5-methyl-4-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole, E3 ubiquitin-protein ligase MYLIP, ZINC ION Authors: Bradshaw, W.J, Guenther, F, Murphy, E.J. Deposit date: 2025-10-10 Release date: 2025-12-10 Method: X-RAY DIFFRACTION (1.52 Å) Cite: PanDDA analysis group deposition To Be Published
13SG	PanDDA analysis group deposition -- IDOL RING domain in complex with Z1891773476 Descriptor: 1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYLIP, ... Authors: Bradshaw, W.J, Guenther, F, Murphy, E.J. Deposit date: 2025-10-10 Release date: 2025-12-10 Method: X-RAY DIFFRACTION (1.725 Å) Cite: PanDDA analysis group deposition To Be Published
13SH	PanDDA analysis group deposition -- IDOL RING domain in complex with Z234898049 Descriptor: 3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline, E3 ubiquitin-protein ligase MYLIP, ZINC ION Authors: Bradshaw, W.J, Guenther, F, Murphy, E.J. Deposit date: 2025-10-10 Release date: 2025-12-10 Method: X-RAY DIFFRACTION (1.6 Å) Cite: PanDDA analysis group deposition To Be Published
13SP	PanDDA analysis group deposition -- IDOL RING domain in complex with Z364577298 Descriptor: 1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, E3 ubiquitin-protein ligase MYLIP, ZINC ION Authors: Bradshaw, W.J, Guenther, F, Murphy, E.J. Deposit date: 2025-10-10 Release date: 2025-12-10 Method: X-RAY DIFFRACTION (1.69 Å) Cite: PanDDA analysis group deposition To Be Published
13SR	PanDDA analysis group deposition -- IDOL RING domain in complex with Z48852953 Descriptor: 4-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYLIP, ... Authors: Bradshaw, W.J, Guenther, F, Murphy, E.J. Deposit date: 2025-10-10 Release date: 2025-12-10 Method: X-RAY DIFFRACTION (1.65 Å) Cite: PanDDA analysis group deposition To Be Published

 

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