4BY0

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)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide

Summary for 4BY0

• Entry DOI: 10.2210/pdb4by0/pdb
• Descriptor: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, ... (4 entities in total)
• Functional Keywords: oxidoreductase, sterol 14-demethylase, sterol biosynthesis, chagas disease
• Biological source: TRYPANOSOMA CRUZI
• Total number of polymer chains: 2
• Total formula weight: 108799.63

Authors

Choi, J.Y.,Calvet, C.M.,Vierira, D.F.,Gunatilleke, S.S.,Cameron, M.D.,McKerrow, J.H.,Podust, L.M.,Roush, W.R. (deposition date: 2013-07-16, release date: 2014-01-22, Last modification date: 2023-12-20)

• Primary citation: Choi, J.Y.,Calvet, C.M.,Vieira, D.F.,Gunatilleke, S.S.,Cameron, M.D.,Mckerrow, J.H.,Podust, L.M.,Roush, W.R.; R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi; Acs Med.Chem.Lett., 5:434-, 2014; PubMed: 24900854; DOI: 10.1021/ML500010M

Experimental method

X-RAY DIFFRACTION (3.1 Å)