7IJN

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 POB175 (Mac1-x10181)

This is a non-PDB format compatible entry.

Summary for 7IJN

• Entry DOI: 10.2210/pdb7ijn/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, (1R,2S)-2-(1H-indazol-4-yl)cyclopentane-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 (SARS-CoV-2,2019-nCoV)
• Total number of polymer chains: 2
• Total formula weight: 36896.19

Authors

Aschenbrenner, J.C.,Watt, G.,Marples, P.G.,Donald, J.R.,Schuller, M.,O'Brien, P.,Fearon, D.,von Delft, F. (deposition date: 2025-08-04, release date: 2025-08-13)

• 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 (1.22 Å)