5CEO

DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile

Summary for 5CEO

• Entry DOI: 10.2210/pdb5ceo/pdb
• Related: 5CEN 5CEP 5CEQ
• Descriptor: Mitogen-activated protein kinase kinase kinase 12, 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile (3 entities in total)
• Functional Keywords: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : Q12852
• Total number of polymer chains: 1
• Total formula weight: 34458.52

Authors

HARRIS, S.F.,YIN, J. (deposition date: 2015-07-07, release date: 2015-10-14, Last modification date: 2024-03-06)

• Primary citation: Patel, S.,Harris, S.F.,Gibbons, P.,Deshmukh, G.,Gustafson, A.,Kellar, T.,Lin, H.,Liu, X.,Liu, Y.,Liu, Y.,Ma, C.,Scearce-Levie, K.,Ghosh, A.S.,Shin, Y.G.,Solanoy, H.,Wang, J.,Wang, B.,Yin, J.,Siu, M.,Lewcock, J.W.; Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).; J.Med.Chem., 58:8182-8199, 2015; PubMed: 26431428; DOI: 10.1021/acs.jmedchem.5b01072

Experimental method

X-RAY DIFFRACTION (2.28 Å)