4PI3
Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
Summary for 4PI3
| Entry DOI | 10.2210/pdb4pi3/pdb |
| Related | 2OZ2 3LXS 4XUI |
| Descriptor | Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide (3 entities in total) |
| Functional Keywords | cystein protease, cruzain, chagas disease, covalent inhibitor, vinyl sulfone derivative, analoge of wrr-483, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Trypanosoma cruzi |
| Total number of polymer chains | 2 |
| Total formula weight | 46743.86 |
| Authors | Tochowicz, A.,McKerrow, J.H. (deposition date: 2014-05-08, release date: 2014-11-12, 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 (1.27 Å) |
Structure validation
Download full validation report
