4C27

Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide

Summary for 4C27

• Entry DOI: 10.2210/pdb4c27/pdb
• Related: 4C28
• Descriptor: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide, ... (6 entities in total)
• Functional Keywords: oxidoreductase, sterol biosynthesis, chagas disease
• Biological source: TRYPANOSOMA CRUZI
• Total number of polymer chains: 2
• Total formula weight: 109317.38

Authors

Vieira, D.F.,Calvet, C.M.,Choi, J.Y.,Cameron, M.D.,Gut, J.,Kellar, D.,Siqueira-Neto, J.L.,McKerrow, J.H.,Roush, W.R.,Podust, L.M. (deposition date: 2013-08-16, release date: 2014-09-03, Last modification date: 2023-12-20)

• Primary citation: Vieira, D.F.,Choi, J.Y.,Calvet, C.M.,Siqueira-Neto, J.L.,Johnston, J.B.,Kellar, D.,Gut, J.,Cameron, M.D.,Mckerrow, J.H.,Roush, W.R.,Podust, L.M.; Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51; J.Med.Chem., 57:10162-, 2014; PubMed: 25393646; DOI: 10.1021/JM501568B

Experimental method

X-RAY DIFFRACTION (1.95 Å)