7JXY

Structure of TTBK1 kinase domain in complex with Compound 18

Summary for 7JXY

• Entry DOI: 10.2210/pdb7jxy/pdb
• Descriptor: Tau-tubulin kinase 1, (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol (3 entities in total)
• Functional Keywords: tau tubulin binding kinase, kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 76383.82

Authors

Chodaprambil, J.V. (deposition date: 2020-08-28, release date: 2021-05-19, Last modification date: 2023-10-18)

• Primary citation: Halkina, T.,Henderson, J.L.,Lin, E.Y.,Himmelbauer, M.K.,Jones, J.H.,Nevalainen, M.,Feng, J.,King, K.,Rooney, M.,Johnson, J.L.,Marcotte, D.J.,Chodaparambil, J.V.,Kumar, P.R.,Patterson, T.A.,Murugan, P.,Schuman, E.,Wong, L.,Hesson, T.,Lamore, S.,Bao, C.,Calhoun, M.,Certo, H.,Amaral, B.,Dillon, G.M.,Gilfillan, R.,de Turiso, F.G.; Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.; J.Med.Chem., 64:6358-6380, 2021; PubMed: 33944571; DOI: 10.1021/acs.jmedchem.1c00382

Experimental method

X-RAY DIFFRACTION (2.15 Å)