7AKE

Structure of DYRK1A in complex with compound 58

Summary for 7AKE

Entry DOI	10.2210/pdb7ake/pdb
Related	7aj2 7aj4 7aj5 7aj7 7aj8 7aja 7ajm 7ajs 7ajv 7ajw 7ajy 7ak2 7aka 7akb
Descriptor	Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	serine/threonine-protein kinase, phosphoprotein, kinase selectivity, transferase, sbdd, small molecule inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	84238.36
Authors	Dokurno, P.,Surgenor, A.E.,Kotschy, A. (deposition date: 2020-09-30, release date: 2021-05-26, Last modification date: 2024-01-31)
Primary citation	Weber, C.,Sipos, M.,Paczal, A.,Balint, B.,Kun, V.,Foloppe, N.,Dokurno, P.,Massey, A.J.,Walmsley, D.L.,Hubbard, R.E.,Murray, J.,Benwell, K.,Edmonds, T.,Demarles, D.,Bruno, A.,Burbridge, M.,Cruzalegui, F.,Kotschy, A. Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64:6745-6764, 2021 Cited by PubMed: 33975430 DOI: 10.1021/acs.jmedchem.1c00023 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation