7RJ7

CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND 2-(1-AMINO-3-METHYLBUTYL)-6- (PYRIDIN-4-YL)QUINOLINE-4-CARBONITRILE

Summary for 7RJ7

• Entry DOI: 10.2210/pdb7rj7/pdb
• Descriptor: AP2-associated protein kinase 1, 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile, SULFATE ION, ... (4 entities in total)
• Functional Keywords: kinase, aak1, ligand, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Mus musculus (Mouse)
• Total number of polymer chains: 2
• Total formula weight: 73165.62

Authors

Muckelbauer, J. (deposition date: 2021-07-20, release date: 2022-02-23, Last modification date: 2024-04-03)

• Primary citation: Hartz, R.A.,Ahuja, V.T.,Nara, S.J.,Kumar, C.M.V.,Manepalli, R.K.V.L.P.,Sarvasiddhi, S.K.,Honkhambe, S.,Patankar, V.,Dasgupta, B.,Rajamani, R.,Muckelbauer, J.K.,Camac, D.M.,Ghosh, K.,Pokross, M.,Kiefer, S.E.,Brown, J.M.,Hunihan, L.,Gulianello, M.,Lewis, M.,Lippy, J.S.,Surti, N.,Hamman, B.D.,Allen, J.,Kostich, W.A.,Bronson, J.J.,Macor, J.E.,Dzierba, C.D.; Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.; J.Med.Chem., 65:4121-4155, 2022; PubMed: 35171586; DOI: 10.1021/acs.jmedchem.1c01966

Experimental method

X-RAY DIFFRACTION (2.124 Å)