9RHN

Structure of SARS-coV-2 NSP3 macrodomain in complex with ligand

This is a non-PDB format compatible entry.

Summary for 9RHN

• Entry DOI: 10.2210/pdb9rhn/pdb
• Descriptor: Papain-like protease nsp3, [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-ethyl-phosphinic acid (3 entities in total)
• Functional Keywords: sars-cov-2, nsp3, macrodomain, viral protein, virus
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 2
• Total formula weight: 37363.99

Authors

Ruiz Carrillo, D.,Sander, S.,Tidow, H.,Garcia-Alai, M.,Fliegert, R.,Sandmann, M. (deposition date: 2025-06-09, release date: 2026-06-24, Last modification date: 2026-07-01)

• Primary citation: Fliegert, R.,Sandmann, M.,Tajdar, S.,Sander, S.,Carrillo, D.,Ganter, B.,Ocenas, M.,Etzold, S.,Pekarek, N.,Berger, J.,Meister, T.L.,Watt, J.,Baszczynski, O.,Potter, B.,Alai, M.G.,Henning, T.,Susanne, P.,Meier, C.; Targeting a viral macrodomain: Design, structure-based optimization and antiviral evaluation of potent inhibitors for Mac1 of SARS-CoV-2; To Be Published, 2026

Experimental method

X-RAY DIFFRACTION (1.95 Å)