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PDB: 14 results
7FR0
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890182452
Descriptor:
2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1.15 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR1
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928
Descriptor:
1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1.15 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR2
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551425673 - (S) isomer
Descriptor:
3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1.15 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR3
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer
Descriptor:
3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR4
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer
Descriptor:
2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR5
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890189003
Descriptor:
2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR6
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890147894
Descriptor:
(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR7
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z431872694
Descriptor:
6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR8
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer
Descriptor:
(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR9
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370
Descriptor:
N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1343520564
Descriptor:
6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer
Descriptor:
1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRC
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer
Descriptor:
3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRD
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer
Descriptor:
3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:
Correy, G.J
,
Fraser, J.S.
Deposit date:
2022-10-20
Release date:
2022-11-09
Last modified:
2024-05-22
Method:
X-RAY DIFFRACTION (1 Å)
Cite:
Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
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数据于2024-07-17公开中