8TU3

Bruton's tyrosine kinase in complex with covalent inhibitor compound 10

Summary for 8TU3

• Entry DOI: 10.2210/pdb8tu3/pdb
• Descriptor: Tyrosine-protein kinase BTK, 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one (3 entities in total)
• Functional Keywords: kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 33048.90

Authors

Metrick, C.M. (deposition date: 2023-08-15, release date: 2024-06-26)

• Primary citation: Himmelbauer, M.K.,Bajrami, B.,Basile, R.,Capacci, A.,Chen, T.,Choi, C.K.,Gilfillan, R.,Gonzalez-Lopez de Turiso, F.,Gu, C.,Hoemberger, M.,Johnson, D.S.,Jones, J.H.,Kadakia, E.,Kirkland, M.,Lin, E.Y.,Liu, Y.,Ma, B.,Magee, T.,Mantena, S.,Marx, I.E.,Metrick, C.M.,Mingueneau, M.,Murugan, P.,Muste, C.A.,Nadella, P.,Nevalainen, M.,Parker Harp, C.R.,Pattaropong, V.,Pietrasiewicz, A.,Prince, R.J.,Purgett, T.J.,Santoro, J.C.,Schulz, J.,Sciabola, S.,Tang, H.,Vandeveer, H.G.,Wang, T.,Yousaf, Z.,Helal, C.J.,Hopkins, B.T.; Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.; J.Med.Chem., 67:8122-8140, 2024; PubMed: 38712838; DOI: 10.1021/acs.jmedchem.4c00220

Experimental method

X-RAY DIFFRACTION (1.7 Å)