4UQH

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)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.

Summary for 4UQH

Entry DOI	10.2210/pdb4uqh/pdb
Related	4BMM 4C0C
Descriptor	STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... (5 entities in total)
Functional Keywords	oxidoreductase, sterol biosynthesis, chagas disease
Biological source	TRYPANOSOMA CRUZI
Total number of polymer chains	1
Total formula weight	55174.37
Authors	Calvet, C.M.,Vieira, D.F.,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: 2014-06-23, release date: 2014-08-20, Last modification date: 2024-01-10)
Primary citation	Calvet, C.M.,Vieira, D.F.,Choi, J.Y.,Kellar, D.,Cameron, M.D.,Siqueira-Neto, J.L.,Gut, J.,Johnston, J.B.,Lin, L.,Khan, S.,Mckerrow, J.H.,Roush, W.R.,Podust, L.M. 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57:6989-, 2014 Cited by PubMed: 25101801 DOI: 10.1021/JM500448U PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.43 Å)

Structure validation