15DT

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004281

Summary for 15DT

• Entry DOI: 10.2210/pdb15dt/pdb
• Group deposition: PanDDA analysis group deposition of SARS-CoV-2 NSP3 macrodomain ligand screen - compounds from the QCRG AViDD center (G_1002383)
• Descriptor: Non-structural protein 3, (1R,3S,5R)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3lambda~4~-thia-6-azabicyclo[3.2.1]octan-3-one, CHLORIDE ION, ... (4 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: 36723.36

Authors

Correy, G.J.,Fraser, J.S. (deposition date: 2026-08-04, release date: 2026-11-04)

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

Experimental method

X-RAY DIFFRACTION (0.95 Å)