7H0B
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0010716-001
This is a non-PDB format compatible entry.
Summary for 7H0B
Entry DOI | 10.2210/pdb7h0b/pdb |
Group deposition | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre (G_1002283) |
Descriptor | Papain-like protease nsp3, (4M)-4-(4-{[(1R)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile (3 entities in total) |
Functional Keywords | asap, avidd, diamond i04-1, crystallographic fragment screening, pandda, xchemexplorer, sars-cov-2, viral protein, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 2 |
Total formula weight | 37412.47 |
Authors | Aschenbrenner, J.C.,Fearon, D.,Tomlinson, C.W.E.,Marples, P.G.,Fairhead, M.,Balcomb, B.H.,Chandran, A.V.,Godoy, A.S.,Koekemoer, L.,Lithgo, R.M.,Ni, X.,Thompson, W.,Wang, S.,Wild, C.,Williams, E.P.,Winokan, M.,Walsh, M.A.,von Delft, F. (deposition date: 2024-01-23, release date: 2024-05-15) |
Primary citation | Aschenbrenner, J.C.,Fearon, D.,Tomlinson, C.W.E.,Marples, P.G.,Fairhead, M.,Balcomb, B.H.,Chandran, A.V.,Godoy, A.S.,Koekemoer, L.,Lithgo, R.M.,Ni, X.,Thompson, W.,Wang, S.,Wild, C.,Williams, E.P.,Winokan, M.,Walsh, M.A.,von Delft, F. Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published, |
Experimental method |
Structure validation
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