9D6I

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-4317

This is a non-PDB format compatible entry.

Summary for 9D6I

• Entry DOI: 10.2210/pdb9d6i/pdb
• Descriptor: Non-structural protein 3, (3R)-3-hydroxy-3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thiane-1,1-dione, CHLORIDE ION, ... (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: 36845.60

Authors

Correy, G.J.,Fraser, J.S. (deposition date: 2024-08-15, release date: 2025-05-21)

• 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)