6YI7
Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
Summary for 6YI7
Entry DOI | 10.2210/pdb6yi7/pdb |
Related | 3QSD 3S3Q 3S3R 4I04 4I05 4I07 5OGQ 5OGR |
Descriptor | Cathepsin B-like peptidase (C01 family), ACETATE ION, 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ... (4 entities in total) |
Functional Keywords | cysteine protease, parasite, inhibitor, azanitrile, hydrolase |
Biological source | Schistosoma mansoni |
Total number of polymer chains | 1 |
Total formula weight | 28958.77 |
Authors | Jilkova, A.,Rezacova, P.,Pachl, P.,Fanfrlik, J.,Rubesova, P.,Guetschow, M.,Mares, M. (deposition date: 2020-04-01, release date: 2020-12-16, Last modification date: 2024-01-24) |
Primary citation | Jilkova, A.,Horn, M.,Fanfrlik, J.,Kuppers, J.,Pachl, P.,Rezacova, P.,Lepsik, M.,Fajtova, P.,Rubesova, P.,Chanova, M.,Caffrey, C.R.,Gutschow, M.,Mares, M. Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity. Acs Infect Dis., 7:189-201, 2021 Cited by PubMed: 33301315DOI: 10.1021/acsinfecdis.0c00644 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.29 Å) |
Structure validation
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