9MLJ

X-ray structure of SARS-CoV-2 main protease covalently bound to compound GRL-050-23 at 1.6 A

This is a non-PDB format compatible entry.

Summary for 9MLJ

• Entry DOI: 10.2210/pdb9mlj/pdb
• Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, (3S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-7-fluoro-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, ... (5 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
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34650.41

Authors

Beechboard, S.N.,Mesecar, A.D.,Ghosh, A.K.,Center for Structural Biology of Infectious Diseases (CSBID) (deposition date: 2024-12-19, release date: 2025-11-26)

• Primary citation: Beechboard, S.N.,Mesecar, A.D.,Ghosh, A.K.,Center for Structural Biology of Infectious Diseases (CSBID); X-ray structure of SARS-CoV-2 main protease covalently bound to compound GRL-050-23 at 1.6 A; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.6 Å)