4YU2

Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor

Summary for 4YU2

Entry DOI	10.2210/pdb4yu2/pdb
Descriptor	Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL, (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, ... (5 entities in total)
Functional Keywords	transferase, dyrk1a, down syndrome, inhibitor, harmine, structural genomics, structural genomics consortium, sgc
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	170379.88
Authors	Chaikuad, A.,Wurzlbauer, A.,Nowak, R.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Bracher, F.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2015-03-18, release date: 2015-03-25, Last modification date: 2024-01-10)
Primary citation	Wurzlbauer, A.,Ruben, K.,Gurdal, E.,Chaikuad, A.,Knapp, S.,Sippl, W.,Becker, W.,Bracher, F. How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine. Molecules, 25:-, 2020 Cited by PubMed: 33339338 DOI: 10.3390/molecules25245962 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation