5MTX

Dibenzooxepinone inhibitor 12b in complex with p38 MAPK

5MTX の概要

• エントリーDOI: 10.2210/pdb5mtx/pdb
• 分子名称: Mitogen-activated protein kinase 14, 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, octyl beta-D-glucopyranoside, ... (4 entities in total)
• 機能のキーワード: kinase, inhibitor, p38, complex, type 1.5, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42522.56

構造登録者

Buehrmann, M.,Rauh, D. (登録日: 2017-01-11, 公開日: 2017-09-06, 最終更新日: 2020-07-29)

• 主引用文献: Walter, N.M.,Wentsch, H.K.,Buhrmann, M.,Bauer, S.M.,Doring, E.,Mayer-Wrangowski, S.,Sievers-Engler, A.,Willemsen-Seegers, N.,Zaman, G.,Buijsman, R.,Lammerhofer, M.,Rauh, D.,Laufer, S.A.; Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.; J. Med. Chem., 60:8027-8054, 2017; PubMed: 28834431; DOI: 10.1021/acs.jmedchem.7b00745

実験手法

X-RAY DIFFRACTION (1.8 Å)