Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598

Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598 Descriptor: (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... Authors: Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. Deposit date: 2015-12-16 Release date: 2017-04-26 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14 alpha-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity. Antimicrob. Agents Chemother., 61, 2017

致病性丝状真菌烟曲霉（Aspergillus fumigatus）甾醇14-α脱甲基酶（CYP51B）与四唑类抑制剂VT-1598复合物的晶体结构。
结构配体描述：(R)-4-((4-((6-(2-(2,4-二氟苯基)-1,1-二氟-2-羟基-3-(1H-四唑-1-基)丙基)吡啶-3-基)乙炔基)苯氧基)甲基)苯甲腈、含铁原卟啉IX（PROTOPORPHYRIN IX CONTAINING FE）、甾醇14-α脱甲基酶（STEROL 14-ALPHA DEMETHYLASE），……。
作者：Hargrove T.Y.、Wawrzak Z.、Lepesheva G.I.。
入库日期：2015-12-16
发布日期：2017-04-26
最后修改日期：2024-01-10
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.99 Å）。
引用文献：《与烟曲霉甾醇14-α脱甲基酶结合的新型候选药物VT-1598的晶体结构为其广谱抗真菌活性提供研究见解》，*Antimicrob. Agents Chemother.*，61，2017。