8EKT
CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1)
Summary for 8EKT
Entry DOI | 10.2210/pdb8ekt/pdb |
Related | 7UWP |
Descriptor | sterol 14a-demethylase, PROTOPORPHYRIN IX CONTAINING FE, (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, ... (4 entities in total) |
Functional Keywords | cytochrome p450, cyp51, sterol 14alpha-demethylase, sterol biosynthesis, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor |
Biological source | Acanthamoeba castellanii |
Total number of polymer chains | 6 |
Total formula weight | 321547.23 |
Authors | Hargrove, T.Y.,Wawrzak, Z.,Lepesheva, G.I. (deposition date: 2022-09-21, release date: 2023-08-02, Last modification date: 2024-05-15) |
Primary citation | Hargrove, T.Y.,Lamb, D.C.,Wawrzak, Z.,Hull, M.,Kelly, S.L.,Guengerich, F.P.,Lepesheva, G.I. Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14 alpha-Demethylase as a Key Drug Target. J.Med.Chem., 67:7443-7457, 2024 Cited by PubMed: 38683753DOI: 10.1021/acs.jmedchem.4c00303 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.29 Å) |
Structure validation
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