1U9Q

Crystal structure of cruzain bound to an alpha-ketoester

Summary for 1U9Q

Entry DOI	10.2210/pdb1u9q/pdb
Related	1F29 1F2A 1F2B 1F2C 1ME3 1ME4
Descriptor	cruzipain, [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER (3 entities in total)
Functional Keywords	clan-ca cysteine protease; covalent inhibitor, hydrolase
Biological source	Trypanosoma cruzi
Total number of polymer chains	1
Total formula weight	23123.58
Authors	Lange, M.,Weston, S.G.,Cheng, H.,Culliane, M.,Fiorey, M.M.,Grisostomi, C.,Hardy, L.W.,Hartstough, D.S.,Pallai, P.V.,Tilton, R.F.,Baldino, C.M.,Brinen, L.S.,Engel, J.C.,Choe, Y.,Price, M.S.,Craik, C.S. (deposition date: 2004-08-10, release date: 2005-03-29, Last modification date: 2023-08-23)
Primary citation	Choe, Y.,Brinen, L.S.,Price, M.S.,Engel, J.C.,Lange, M.,Grisostomi, C.,Weston, S.G.,Pallai, P.V.,Cheng, H.,Hardy, L.W.,Hartsough, D.S.,McMakin, M.,Tilton, R.F.,Baldino, C.M.,Craik, C.S. Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease Bioorg.Med.Chem., 13:2141-2156, 2005 Cited by PubMed: 15727867 DOI: 10.1016/j.bmc.2004.12.053 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation