5KZ0

Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide

5KZ0 の概要

• エントリーDOI: 10.2210/pdb5kz0/pdb
• 関連するPDBエントリー: 4cli
• 分子名称: ALK tyrosine kinase receptor, 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide (3 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)
• 細胞内の位置: Cell membrane ; Single-pass type I membrane protein : Q9UM73
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37306.80

構造登録者

McTigue, M.,Deng, Y.L.,Liu, W.,Brooun, A. (登録日: 2016-07-22, 公開日: 2016-08-17, 最終更新日: 2023-10-04)

• 主引用文献: Johnson, T.W.,Richardson, P.F.,Bailey, S.,Brooun, A.,Burke, B.J.,Collins, M.R.,Cui, J.J.,Deal, J.G.,Deng, Y.L.,Dinh, D.,Engstrom, L.D.,He, M.,Hoffman, J.,Hoffman, R.L.,Huang, Q.,Kania, R.S.,Kath, J.C.,Lam, H.,Lam, J.L.,Le, P.T.,Lingardo, L.,Liu, W.,McTigue, M.,Palmer, C.L.,Sach, N.W.,Smeal, T.,Smith, G.L.,Stewart, A.E.,Timofeevski, S.,Zhu, H.,Zhu, J.,Zou, H.Y.,Edwards, M.P.; Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.; J. Med. Chem., 57:4720-4744, 2014; PubMed: 24819116; DOI: 10.1021/jm500261q

実験手法

X-RAY DIFFRACTION (2.3 Å)