4BJK

CYP51 of Trypanosoma brucei bound to (S)-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 4BJK

Entry DOI	10.2210/pdb4bjk/pdb
Descriptor	LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide, ... (4 entities in total)
Functional Keywords	oxidoreductase, ergosterol biosynthesis
Biological source	TRYPANOSOMA BRUCEI
Total number of polymer chains	4
Total formula weight	216458.30
Authors	Podust, L.M. (deposition date: 2013-04-18, release date: 2013-09-04, Last modification date: 2023-12-20)
Primary citation	Choi, J.Y.,Calvet, C.M.,Gunatilleke, S.S.,Ruiz, C.,Cameron, M.D.,Mckerrow, J.H.,Podust, L.M.,Roush, W.R. Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents. J.Med.Chem., 56:7651-, 2013 Cited by PubMed: 24079662 DOI: 10.1021/JM401067S PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.67 Å)

Structure validation