5MTX

Dibenzooxepinone inhibitor 12b in complex with p38 MAPK

Summary for 5MTX

Entry DOI	10.2210/pdb5mtx/pdb
Descriptor	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)
Functional Keywords	kinase, inhibitor, p38, complex, type 1.5, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	42522.56
Authors	Buehrmann, M.,Rauh, D. (deposition date: 2017-01-11, release date: 2017-09-06, Last modification date: 2020-07-29)
Primary citation	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 Cited by PubMed: 28834431 DOI: 10.1021/acs.jmedchem.7b00745 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation