3TCP

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569

3TCP の概要

• エントリーDOI: 10.2210/pdb3tcp/pdb
• 関連するPDBエントリー: 2BRB 2POC 3BPR
• 分子名称: Tyrosine-protein kinase Mer, 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: tyrosine kinase, acute lymphoblastic leukemia, rational structure-based drug design, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane ; Single-pass type I membrane protein : Q12866
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 72798.47

構造登録者

Liu, J.,Yang, C.,Simpson, C.,DeRyckere, D.,Van Deusen, A.,Miley, M.,Kireev, D.B.,Norris-Drouin, J.,Sather, S.,Hunter, D.,Patel, H.S.,Janzen, W.P.,Machius, M.,Johnson, G.,Earp, H.S.,Graham, D.K.,Frye, S.,Wang, X. (登録日: 2011-08-09, 公開日: 2012-06-20, 最終更新日: 2023-09-13)

• 主引用文献: Liu, J.,Yang, C.,Simpson, C.,Deryckere, D.,Van Deusen, A.,Miley, M.J.,Kireev, D.,Norris-Drouin, J.,Sather, S.,Hunter, D.,Korboukh, V.K.,Patel, H.S.,Janzen, W.P.,Machius, M.,Johnson, G.L.,Earp, H.S.,Graham, D.K.,Frye, S.V.,Wang, X.; Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.; ACS Med Chem Lett, 3:129-134, 2012; PubMed: 22662287

実験手法

X-RAY DIFFRACTION (2.69 Å)