7H06

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0010739-001

This is a non-PDB format compatible entry.

Summary for 7H06

• Entry DOI: 10.2210/pdb7h06/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, 7-{(1S)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione (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: 1
• Total formula weight: 18656.66

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

X-RAY DIFFRACTION (1.24 Å)