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3I06

Crystal structure of cruzain covalently bound to a purine nitrile

Summary for 3I06
Entry DOI10.2210/pdb3i06/pdb
DescriptorCruzipain, 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile (3 entities in total)
Functional Keywordsautocatalytic cleavage, glycoprotein, protease, thiol protease, zymogen, hydrolase
Biological sourceTrypanosoma cruzi
Total number of polymer chains1
Total formula weight23015.40
Authors
Ferreira, R.S.,Shoichet, B.K.,McKerrow, J.H. (deposition date: 2009-06-24, release date: 2009-12-15, Last modification date: 2023-09-06)
Primary citationMott, B.T.,Ferreira, R.S.,Simeonov, A.,Jadhav, A.,Ang, K.K.,Leister, W.,Shen, M.,Silveira, J.T.,Doyle, P.S.,Arkin, M.R.,McKerrow, J.H.,Inglese, J.,Austin, C.P.,Thomas, C.J.,Shoichet, B.K.,Maloney, D.J.
Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
J.Med.Chem., 53:52-60, 2010
Cited by
PubMed: 19908842
DOI: 10.1021/jm901069a
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.1 Å)
Structure validation

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