7IJ2

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8727396638

This is a non-PDB format compatible entry.

Summary for 7IJ2

• Entry DOI: 10.2210/pdb7ij2/pdb
• Group deposition: PanDDA analysis group deposition of SARS-CoV-2 NSP3 macrodomain ligand screen - ligands from Z5398393122 small moves analogues (G_1002350)
• Descriptor: Non-structural protein 3, DIMETHYL SULFOXIDE, (2R,3S)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, ... (5 entities in total)
• Functional Keywords: macrodomain, adp-ribose, sars-cov-2, fragment-based drug discovery, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 37084.33

Authors

Correy, G.J.,Fraser, J.S. (deposition date: 2025-07-22, release date: 2025-09-17)

• Primary citation: Correy, G.J.,Fraser, J.S.; Ligand screen against SARS-CoV-2 NSP3 macrodomain; To be published,

Experimental method

X-RAY DIFFRACTION (0.97 Å)