1ME4

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

Summary for 1ME4

Entry DOI	10.2210/pdb1me4/pdb
Related	1f29 1f2a 1f2b 1f2c
Descriptor	CRUZIPAIN, [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER (3 entities in total)
Functional Keywords	cysteine protease, non-covalent inhibitor, hydrolase
Biological source	Trypanosoma cruzi
Total number of polymer chains	1
Total formula weight	23175.66
Authors	Brinen, L.S.,Huang, L.,Ellman, J.A. (deposition date: 2002-08-07, release date: 2002-12-18, Last modification date: 2024-12-25)
Primary citation	Huang, L.,Brinen, L.S.,Ellman, J.A. Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain Bioorg.Med.Chem., 11:21-29, 2003 Cited by PubMed Abstract: 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. PubMed: 12467703 DOI: 10.1016/S0968-0896(02)00427-3 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.2 Å)

Structure validation