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 Cited by PubMed: 24900854DOI: 10.1021/ML500010M PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.1 Å) |
Structure validation
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