9D08

Crystal structure of the SARS-CoV-2 main protease in complex with covalent dipeptidyl inhibitor CIP-1

This is a non-PDB format compatible entry.

Summary for 9D08

• Entry DOI: 10.2210/pdb9d08/pdb
• Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-L-leucinamide (3 entities in total)
• Functional Keywords: sars-cov-2, 3c-like protease, complex, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV,SARS-CoV-2)
• Total number of polymer chains: 1
• Total formula weight: 34116.93

Authors

Engel, J.A.,Al-Homoudi, A.I.,Muczynski, M.D.,Brunzelle, J.S.,Kovari, L.C. (deposition date: 2024-08-06, release date: 2026-02-11)

• Primary citation: Muczynski, M.D.,Engel, J.E.; Similar Free and Complexed Inhibitor Conformations Enhance SARS-CoV-2 3CLpro Inhibitor Efficacy; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.91 Å)