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4XUI

Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)

Replaces:  4PI4
Summary for 4XUI
Entry DOI10.2210/pdb4xui/pdb
Related4PI3
DescriptorCruzipain, 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 Keywordscruzain, cysteine protease, covalent reversible inhibitor, chagas disease, trypanosoma cruzi, vinyl sulfone analog, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceTrypanosoma cruzi
Total number of polymer chains3
Total formula weight70369.99
Authors
Tochowicz, A.,McKerrow, J.H. (deposition date: 2015-01-26, release date: 2015-03-11, Last modification date: 2023-09-27)
Primary citationJones, 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: 26819670
DOI: 10.1021/acsmedchemlett.5b00336
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.508 Å)
Structure validation

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