6Q2T
Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
6Q2T の概要
エントリーDOI | 10.2210/pdb6q2t/pdb |
分子名称 | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, ... (5 entities in total) |
機能のキーワード | monooxygenase, sterol biosynthesis, cytochrome p450, structure-based drug design, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
由来する生物種 | Homo sapiens (Human) |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 108512.81 |
構造登録者 | Friggeri, L.,Hargrove, T.Y.,Wawrzak, Z.,Lepesheva, G.I. (登録日: 2019-08-08, 公開日: 2019-11-13, 最終更新日: 2023-10-11) |
主引用文献 | Friggeri, L.,Hargrove, T.Y.,Wawrzak, Z.,Guengerich, F.P.,Lepesheva, G.I. Validation of Human Sterol 14 alpha-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors. J.Med.Chem., 62:10391-10401, 2019 Cited by PubMed: 31663733DOI: 10.1021/acs.jmedchem.9b01485 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.8 Å) |
構造検証レポート
検証レポート(詳細版)
をダウンロード
![ダウンロード](/newweb/media/icons/dl.png)