8HE9

Crystal structure of CTSB in complex with K777

Summary for 8HE9

• Entry DOI: 10.2210/pdb8he9/pdb
• Descriptor: Cathepsin B, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, GLYCEROL, ... (5 entities in total)
• Functional Keywords: inhibitor, antiviral, protease, antiviral protein, antiviral protein-inhibitor complex, antiviral protein/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 28811.23

Authors

Wang, H.,Li, D.,Sun, L.,Yang, H. (deposition date: 2022-11-07, release date: 2023-12-13, Last modification date: 2024-06-19)

• Primary citation: Wang, H.,Yang, Q.,Liu, X.,Xu, Z.,Shao, M.,Li, D.,Duan, Y.,Tang, J.,Yu, X.,Zhang, Y.,Hao, A.,Wang, Y.,Chen, J.,Zhu, C.,Guddat, L.,Chen, H.,Zhang, L.,Chen, X.,Jiang, B.,Sun, L.,Rao, Z.,Yang, H.; Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.; Nat Commun, 14:7574-7574, 2023; PubMed: 37990007; DOI: 10.1038/s41467-023-42527-5

Experimental method

X-RAY DIFFRACTION (1.55 Å)