5L4Q

Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor)

Summary for 5L4Q

• Entry DOI: 10.2210/pdb5l4q/pdb
• Descriptor: AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: kinase kinase domain, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 78706.13

Authors

Sorrell, F.J.,Williams, E.,Fox, N.,Abdul Azeez, K.R.,Gileadi, O.,von Delft, F.,Edwards, A.M.,Bountra, C.,Elkins, J.M.,Knapp, S. (deposition date: 2016-05-26, release date: 2016-06-08, Last modification date: 2024-01-10)

• Primary citation: Verdonck, S.,Pu, S.Y.,Sorrell, F.J.,Elkins, J.M.,Froeyen, M.,Gao, L.J.,Prugar, L.I.,Dorosky, D.E.,Brannan, J.M.,Barouch-Bentov, R.,Knapp, S.,Dye, J.M.,Herdewijn, P.,Einav, S.,De Jonghe, S.; Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.; J.Med.Chem., 2019; PubMed: 31136173; DOI: 10.1021/acs.jmedchem.9b00136

Experimental method

X-RAY DIFFRACTION (1.97 Å)