4BMM

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',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide

Summary for 4BMM

• Entry DOI: 10.2210/pdb4bmm/pdb
• Related: 4C0C 4UQH
• Descriptor: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, ... (4 entities in total)
• Functional Keywords: oxidoreductase, sterol biosynthesis, chagas disease
• Biological source: TRYPANOSOMA CRUZI
• Cellular location: Membrane; Single-pass membrane protein (Potential): Q7Z1V1
• Total number of polymer chains: 4
• Total formula weight: 217671.22

Authors

Choi, J.Y.,Calvet, C.M.,Gunatilleke, S.S.,Roush, W.R.,McKerrow, J.H.,Podust, L.M. (deposition date: 2013-05-09, release date: 2014-06-11, Last modification date: 2023-12-20)

• 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; PubMed: 25101801; DOI: 10.1021/JM500448U

Experimental method

X-RAY DIFFRACTION (2.84 Å)