8CC2

Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A

This is a non-PDB format compatible entry.

Summary for 8CC2

• Entry DOI: 10.2210/pdb8cc2/pdb
• Related: 7JUJ
• Descriptor: Cathepsin B-like peptidase (C01 family), gallinamide A, bound form, SODIUM ION, ... (4 entities in total)
• Functional Keywords: cysteine protease, cathepsin b, smcb1, schistosoma mansoni, protease inhibitor peptidomimetic, gallinamide a, hydrolase
• Biological source: Schistosoma mansoni
• Total number of polymer chains: 1
• Total formula weight: 29125.03

Authors

Rubesova, P.,Brynda, J.,Mares, M.,Gerwick, W.H. (deposition date: 2023-01-26, release date: 2024-02-07, Last modification date: 2024-08-07)

• Primary citation: Spiwokova, P.,Horn, M.,Fanfrlik, J.,Jilkova, A.,Fajtova, P.,Leontovyc, A.,Houstecka, R.,Bielikova, L.,Brynda, J.,Chanova, M.,Mertlikova-Kaiserova, H.,Caro-Diaz, E.J.E.,Almaliti, J.,El-Sakkary, N.,Gerwick, W.H.,Caffrey, C.R.,Mares, M.; Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.; Acs Infect Dis., 10:1935-1948, 2024; PubMed: 38757505; DOI: 10.1021/acsinfecdis.3c00589

Experimental method

X-RAY DIFFRACTION (1.2 Å)