6G9B

Crystal structure of Ebolavirus glycoprotein in complex with imipramine

6G9B の概要

• エントリーDOI: 10.2210/pdb6g9b/pdb
• 関連するPDBエントリー: 6G95
• 分子名称: Envelope glycoprotein,Envelope glycoprotein, Envelope glycoprotein, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (8 entities in total)
• 機能のキーワード: ebolavirus glycoprotein, imipramine, protein drug complex, viral protein
• 由来する生物種: Zaire ebolavirus (strain Mayinga-76) (ZEBOV); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 57882.05

構造登録者

Zhao, Y.,Ren, J.,Fry, E.E.,Xiao, J.,Townsend, A.R.,Stuart, D.I. (登録日: 2018-04-10, 公開日: 2018-05-23, 最終更新日: 2024-11-20)

主引用文献

Zhao, Y.,Ren, J.,Fry, E.E.,Xiao, J.,Townsend, A.R.,Stuart, D.I.
Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61:4938-4945, 2018

PubMed Abstract: A large number of Food and Drug Administration (FDA)-approved drugs have been found to inhibit the cell entry of Ebola virus (EBOV). However, since these drugs have various primary pharmacological targets, their mechanisms of action against EBOV remain largely unknown. We have previously shown that six FDA-approved drugs inhibit EBOV infection by interacting with and destabilizing the viral glycoprotein (GP). Here we show that antidepressants imipramine and clomipramine and antipsychotic drug thioridazine also directly interact with EBOV GP and determine the mode of interaction by crystallographic analysis of the complexes. The compounds bind within the same pocket as observed for other, chemically divergent complexes but with different binding modes. These details should be of value for the development of potent EBOV inhibitors.

PubMed: 29741894
DOI: 10.1021/acs.jmedchem.8b00350

実験手法

X-RAY DIFFRACTION (2.26 Å)