High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (I)

File:1me4.jpg


1me4, resolution 1.2Å

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OverviewOverview

The crystal structures of two hydroxymethyl ketone inhibitors complexed to the cysteine protease cruzain have been determined at 1.1 and 1.2 A resolution, respectively. These high resolution crystal structures provide the first structures of non-covalent inhibitors bound to cruzain. A series of compounds were prepared and tested based upon the structures providing further insight into the key binding interactions.

About this StructureAbout this Structure

1ME4 is a Single protein structure of sequence from Trypanosoma cruzi with as ligand. Full crystallographic information is available from OCA.

ReferenceReference

Crystal structures of reversible ketone-Based inhibitors of the cysteine protease cruzain., Huang L, Brinen LS, Ellman JA, Bioorg Med Chem. 2003 Jan 2;11(1):21-9. PMID:12467703

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