5MTY

Dibenzosuberone inhibitor 8e in complex with p38 MAPK

Summary for 5MTY

• Entry DOI: 10.2210/pdb5mty/pdb
• Descriptor: Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-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: 42475.50

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; PubMed: 28834431; DOI: 10.1021/acs.jmedchem.7b00745

Experimental method

X-RAY DIFFRACTION (2.31 Å)