7RJ6
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
Summary for 7RJ6
Entry DOI | 10.2210/pdb7rj6/pdb |
Descriptor | AP2-associated protein kinase 1, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, SULFATE ION, ... (5 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 | 73291.80 |
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 Cited by PubMed: 35171586DOI: 10.1021/acs.jmedchem.1c01966 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.132 Å) |
Structure validation
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