7IK6

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 POB0217 (Mac1-x10585)

This is a non-PDB format compatible entry.

Summary for 7IK6

• Entry DOI: 10.2210/pdb7ik6/pdb
• Group deposition: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group (G_1002351)
• Descriptor: Papain-like protease nsp3, (2P)-2-[2-(methylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid (3 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: 1
• Total formula weight: 18550.11

Authors

Aschenbrenner, J.C.,Watt, G.,Marples, P.G.,Wang, X.,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 (1.301 Å)