9ZNL

X-ray structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-050-22 at 1.16 A

This is a non-PDB format compatible entry.

Summary for 9ZNL

• Entry DOI: 10.2210/pdb9znl/pdb
• Descriptor: 3C-like proteinase nsp5, (3S)-N-[(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(4-phenyl-1,3-thiazol-2-yl)propan-2-yl]-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3 entities in total)
• Functional Keywords: main protease, 3-chymotrypsin-like protease, mpro, 3clpro, structural genomics, center for structural biology of infectious diseases, csbid, viral protein, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34511.30

Authors

Mesecar, A.D.,Lendy, K.E.,Jayashankar, U.,Bogan, S.N.,Ghosh, A.K.,Center for Structural Biology of Infectious Diseases (CSBID) (deposition date: 2025-12-13, release date: 2025-12-24)

• Primary citation: Mesecar, A.D.,Lendy, K.E.,Jayashankar, U.,Bogan, S.N.,Ghosh, A.K.,Center for Structural Biology of Infectious Diseases (CSBID); X-ray structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-050-22 at 1.16 A; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.16 Å)