4XUI
Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)
Replaces: 4PI4Summary for 4XUI
Entry DOI | 10.2210/pdb4xui/pdb |
Related | 4PI3 |
Descriptor | Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total) |
Functional Keywords | cruzain, cysteine protease, covalent reversible inhibitor, chagas disease, trypanosoma cruzi, vinyl sulfone analog, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Trypanosoma cruzi |
Total number of polymer chains | 3 |
Total formula weight | 70369.99 |
Authors | Tochowicz, A.,McKerrow, J.H. (deposition date: 2015-01-26, release date: 2015-03-11, Last modification date: 2023-09-27) |
Primary citation | Jones, B.D.,Tochowicz, A.,Tang, Y.,Cameron, M.D.,McCall, L.I.,Hirata, K.,Siqueira-Neto, J.L.,Reed, S.L.,McKerrow, J.H.,Roush, W.R. Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain. Acs Med.Chem.Lett., 7:77-82, 2016 Cited by PubMed: 26819670DOI: 10.1021/acsmedchemlett.5b00336 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.508 Å) |
Structure validation
Download full validation report