6EJ4
DYRK1A in complex with XMD7-112
Summary for 6EJ4
| Entry DOI | 10.2210/pdb6ej4/pdb |
| Related | 4nct |
| Descriptor | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline (3 entities in total) |
| Functional Keywords | dual specificity tyrosine-phosphorylation-regulated kinase 1a, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 4 |
| Total formula weight | 171761.29 |
| Authors | Rothweiler, U. (deposition date: 2017-09-20, release date: 2018-08-29, Last modification date: 2024-10-16) |
| Primary citation | Czarna, A.,Wang, J.,Zelencova, D.,Liu, Y.,Deng, X.,Choi, H.G.,Zhang, T.,Zhou, W.,Chang, J.W.,Kildalsen, H.,Seternes, O.M.,Gray, N.S.,Engh, R.A.,Rothweiler, U. Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61:7560-7572, 2018 Cited by PubMed Abstract: DYRK1A is one of five members of the dual-specificity tyrosine (Y) phosphorylation-regulated kinase (DYRK) family. The DYRK1A gene is located in the Down syndrome critical region and regulates cellular processes related to proliferation and differentiation of neuronal progenitor cells during early development. This has focused research on its role in neuronal degenerative diseases, including Alzheimer's and Down syndrome. Recent studies have also shown a possible role of DYRK1A in diabetes. Here we report a variety of scaffolds not generally known for DYRK1A inhibition, demonstrating their effects in in vitro assays and also in cell cultures. These inhibitors effectively block the tau phosphorylation that is a hallmark of Alzheimer's disease. The crystal structures of these inhibitors support the design of optimized and novel therapeutics. PubMed: 30095246DOI: 10.1021/acs.jmedchem.7b01847 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.88 Å) |
Structure validation
Download full validation report
