5LXC

Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1)

5LXC の概要

• エントリーDOI: 10.2210/pdb5lxc/pdb
• 分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: transferase, kinase, inhibitor, unusual binding mode, structural genomics, structural genomics consortium, sgc
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q92630
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 95429.88

構造登録者

Chaikuad, A.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.,Bountra, C.,Besson, T.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2016-09-20, 公開日: 2016-10-26, 最終更新日: 2017-01-11)

• 主引用文献: Chaikuad, A.,Diharce, J.,Schroder, M.,Foucourt, A.,Leblond, B.,Casagrande, A.S.,Desire, L.,Bonnet, P.,Knapp, S.,Besson, T.; An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.; J. Med. Chem., 59:10315-10321, 2016; PubMed: 27766861; DOI: 10.1021/acs.jmedchem.6b01083

実験手法

X-RAY DIFFRACTION (2.15 Å)