7RKT

Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate

Summary for 7RKT

Entry DOI	10.2210/pdb7rkt/pdb
Descriptor	Protein CYP51, PROTOPORPHYRIN IX CONTAINING FE, (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, ... (5 entities in total)
Functional Keywords	ergosterol biosynthesis, oxidoreductase, azole inhibitors
Biological source	Naegleria fowleri (Brain eating amoeba)
Total number of polymer chains	1
Total formula weight	54789.89
Authors	Sharma, V.,Podust, L.M. (deposition date: 2021-07-22, release date: 2022-07-27, Last modification date: 2023-12-27)
Primary citation	Sharma, V.,Madia, V.N.,Tudino, V.,Nguyen, J.V.,Debnath, A.,Messore, A.,Ialongo, D.,Patacchini, E.,Palenca, I.,Basili Franzin, S.,Seguella, L.,Esposito, G.,Petrucci, R.,Di Matteo, P.,Bortolami, M.,Saccoliti, F.,Di Santo, R.,Scipione, L.,Costi, R.,Podust, L.M. Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023 Cited by PubMed: 38085955 DOI: 10.1021/acs.jmedchem.3c01898 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation