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Legacy flatfile-incompatible PDB entries
13RI
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BU of 13ri by Molmil
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
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BU of 13rj by Molmil
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
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BU of 13rk by Molmil
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
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BU of 13rl by Molmil
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
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BU of 13rm by Molmil
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
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BU of 13rn by Molmil
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
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BU of 13ro by Molmil
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
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BU of 13rp by Molmil
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
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BU of 13rq by Molmil
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
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BU of 13rr by Molmil
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
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BU of 13rs by Molmil
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
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BU of 13rt by Molmil
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
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BU of 13ru by Molmil
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
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BU of 13rv by Molmil
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
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BU of 13rw by Molmil
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
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BU of 13rx by Molmil
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
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BU of 13ry by Molmil
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
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BU of 13rz by Molmil
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
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BU of 13sa by Molmil
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
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BU of 13sd by Molmil
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
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BU of 13sg by Molmil
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
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BU of 13sh by Molmil
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
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BU of 13sp by Molmil
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
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BU of 13sr by Molmil
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
13ST
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BU of 13st by Molmil
PanDDA analysis group deposition -- IDOL RING domain in complex with Z608065044
Descriptor: DIMETHYL SULFOXIDE, 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 (1.37 Å)
Cite:PanDDA analysis group deposition
To Be Published

248335

PDB entries from 2026-01-28

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