7IJT

Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group -- Crystal Structure of SARS-CoV-2 NSP3 Macrodomain in complex with POB0185 (Mac1-x10331)

This is a non-PDB format compatible entry.

Summary for 7IJT

• Entry DOI: 10.2210/pdb7ijt/pdb
• Group deposition: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group (G_1002351)
• Descriptor: Non-structural protein 3, (2P)-2-(1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: diamond i04-1, pandda, xchemexplorer, crystallographic fragment screening, sars-cov-2, macrodomain, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 36680.96

Authors

Aschenbrenner, J.C.,Watt, G.,Marples, P.G.,Donald, J.R.,Butler, W.T.W.,Wang, X.,Schuller, M.,O'Brien, P.,Fearon, D.,von Delft, F. (deposition date: 2025-08-04, release date: 2025-08-13, Last modification date: 2026-02-18)

• Primary citation: Aschenbrenner, J.C.,Watt, G.,Marples, P.G.,Wang, X.,Donald, J.R.,Butler, W.T.W.,Shaw, A.,Schuller, M.,O'Brien, P.,Fearon, D.,von Delft, F.; Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.145 Å)