23MG

Crystal structure of SARS-CoV-2 main protease S144A mutant in complex with leritrelvir

This is a non-PDB format compatible entry.

Summary for 23MG

• Entry DOI: 10.2210/pdb23mg/pdb
• Related: 8ign
• Descriptor: 3C-like proteinase nsp5, (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: sars-cov-2, nsp5, main protease, coronavirus, protease inhibitor, alpha-ketoamide inhibitor, peptidomimetic inhibitor, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 2
• Total formula weight: 72108.01

Authors

Huang, X.,Li, Q.,Yang, Z.,Zhong, N.,Xiong, X. (deposition date: 2026-02-11, release date: 2026-06-03, Last modification date: 2026-06-24)

• Primary citation: Huang, X.,Kuzmic, P.,Zhang, S.,Ramos-Guzman, C.A.,Chen, X.,Gui, J.,Li, Q.,Yan, S.,Zou, B.,Niu, C.,Zhao, Y.,Lin, H.,Wang, N.,Chen, J.,Chen, X.,Spencer, J.,Mulholland, A.J.,Chen, J.,Zhong, N.,Yang, Z.,Xiong, X.; Enhanced Target Binding by Leritrelvir Restores Dimerization of M^pro Mutants and Mitigates Drug Resistance; Biorxiv, 2026; DOI: 10.64898/2026.06.09.730104

Experimental method

X-RAY DIFFRACTION (2 Å)