8TU3

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

8TU3 の概要

• エントリーDOI: 10.2210/pdb8tu3/pdb
• 分子名称: 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)
• 機能のキーワード: kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33048.90

構造登録者

Metrick, C.M. (登録日: 2023-08-15, 公開日: 2024-06-26)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.7 Å)