9O69

Crystal Structure of human Cathepsin K co-crystalized with Nirmatrelvir

Summary for 9O69

• Entry DOI: 10.2210/pdb9o69/pdb
• Descriptor: Cathepsin K, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: human cathepsin k, nirmatrelvir, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 24149.16

Authors

Saha, D.,Chen, Y.S.,Van Petegem, F.,Bromme, D. (deposition date: 2025-04-11, release date: 2026-10-14)

• Primary citation: Tabatabaei, Y.,Saha, D.,Chen, Y.S.,Niikura, M.,Panwar, P.,Mar, E.,Van Petegem, F.,Bromme, D.; Potential role of cathepsins in SARS-CoV-2 infections and the dual activity of nirmatrelvir as 3CLMpro and cathepsin inhibitor; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.9 Å)