6OMU

Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib

6OMU の概要

• エントリーDOI: 10.2210/pdb6omu/pdb
• 分子名称: Tyrosine-protein kinase BTK, CHLORIDE ION, 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, ... (4 entities in total)
• 機能のキーワード: kinase inhibitor, transferase-transferase inhibitor complex, transferase/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: 32063.25

構造登録者

Mochalkin, I.,Gardberg, A.S. (登録日: 2019-04-19, 公開日: 2019-08-14, 最終更新日: 2023-10-11)

• 主引用文献: Caldwell, R.D.,Qiu, H.,Askew, B.C.,Bender, A.T.,Brugger, N.,Camps, M.,Dhanabal, M.,Dutt, V.,Eichhorn, T.,Gardberg, A.S.,Goutopoulos, A.,Grenningloh, R.,Head, J.,Healey, B.,Hodous, B.L.,Huck, B.R.,Johnson, T.L.,Jones, C.,Jones, R.C.,Mochalkin, I.,Morandi, F.,Nguyen, N.,Meyring, M.,Potnick, J.R.,Santos, D.C.,Schmidt, R.,Sherer, B.,Shutes, A.,Urbahns, K.,Follis, A.V.,Wegener, A.A.,Zimmerli, S.C.,Liu-Bujalski, L.; Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.; J.Med.Chem., 62:7643-7655, 2019; PubMed: 31368705; DOI: 10.1021/acs.jmedchem.9b00794

実験手法

X-RAY DIFFRACTION (1.41 Å)