4W5B

Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)

Summary for 4W5B

• Entry DOI: 10.2210/pdb4w5b/pdb
• Related: 3KKU 4PI3 4PI4 4W5C
• Descriptor: Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide (3 entities in total)
• Functional Keywords: cysteine protease, cruzain, fragments-based drug discovery, mutagenesis, spr, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Trypanosoma cruzi
• Total number of polymer chains: 3
• Total formula weight: 68863.03

Authors

Tochowicz, A.,McKerrow, J.H.,Craik, C.S. (deposition date: 2014-08-17, release date: 2015-03-04, Last modification date: 2023-09-27)

• Primary citation: Tochowicz, A.,Lee, G.M.,Arkin, M.R.,Neitz, J.,McKerrow, J.H.,Craik, C.S.; Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.701 Å)