6HTY

PXR in complex with P2X4 inhibitor compound 25

6HTY の概要

• エントリーDOI: 10.2210/pdb6hty/pdb
• 分子名称: Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1, GLYCEROL, DIMETHYL SULFOXIDE, ... (5 entities in total)
• 機能のキーワード: pxr, src-1, cyp3a4 induction, transcription
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 79281.73

構造登録者

Hillig, R.C.,Puetter, V.,Werner, S.,Mesch, S.,Laux-Biehlmann, A.,Braeuer, N.,Dahloef, H.,Klint, J.,ter Laak, A.,Pook, E.,Neagoe, I.,Nubbemeyer, R.,Schulz, S. (登録日: 2018-10-05, 公開日: 2019-12-04, 最終更新日: 2024-01-24)

• 主引用文献: Werner, S.,Mesch, S.,Hillig, R.C.,Ter Laak, A.,Klint, J.,Neagoe, I.,Laux-Biehlmann, A.,Dahllof, H.,Brauer, N.,Puetter, V.,Nubbemeyer, R.,Schulz, S.,Bairlein, M.,Zollner, T.M.,Steinmeyer, A.; Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.; J.Med.Chem., 62:11194-11217, 2019; PubMed: 31746599; DOI: 10.1021/acs.jmedchem.9b01304

実験手法

X-RAY DIFFRACTION (2.22 Å)