7AKA

Structure of DYRK1A in complex with compound 54

Summary for 7AKA

• Entry DOI: 10.2210/pdb7aka/pdb
• Related: 7aj2 7aj4 7aj5 7aj7 7aj8 7aja 7ajm 7ajs 7ajv 7ajw 7ajy 7ak2
• Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, ... (6 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: 84253.67

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; PubMed: 33975430; DOI: 10.1021/acs.jmedchem.1c00023

Experimental method

X-RAY DIFFRACTION (1.9 Å)