5ML5

Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b

Summary for 5ML5

• Entry DOI: 10.2210/pdb5ml5/pdb
• Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, ... (4 entities in total)
• Functional Keywords: kinase, p38alpha, inhibitor, complex, ck1, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 42712.87

Authors

Buehrmann, M.,Rauh, D. (deposition date: 2016-12-06, release date: 2017-04-05, Last modification date: 2020-07-29)

• Primary citation: Halekotte, J.,Witt, L.,Ianes, C.,Kruger, M.,Buhrmann, M.,Rauh, D.,Pichlo, C.,Brunstein, E.,Luxenburger, A.,Baumann, U.,Knippschild, U.,Bischof, J.,Peifer, C.; Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.; Molecules, 22:-, 2017; PubMed: 28338621; DOI: 10.3390/molecules22040522

Experimental method

X-RAY DIFFRACTION (1.9 Å)