8CD9
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6
This is a non-PDB format compatible entry.
Summary for 8CD9
Entry DOI | 10.2210/pdb8cd9/pdb |
Related | 8CC2 8CCU |
Descriptor | Cathepsin B-like peptidase (C01 family), [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate, 1,2-ETHANEDIOL, ... (5 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 | 29297.21 |
Authors | Rubesova, P.,Brynda, J.,Fanfrlik, J.,Gerwick, W.H.,Mares, M. (deposition date: 2023-01-30, release date: 2024-02-21, 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 Cited by PubMed: 38757505DOI: 10.1021/acsinfecdis.3c00589 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.55 Å) |
Structure validation
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