3OS3

Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP

3OS3 の概要

• エントリーDOI: 10.2210/pdb3os3/pdb
• 関連するPDBエントリー: 3ORN
• 分子名称: Dual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-TRIPHOSPHATE, 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ... (5 entities in total)
• 機能のキーワード: kinase, kinase inhibitor, allosteric, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens; 詳細
• 細胞内の位置: Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : Q02750
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35208.29

構造登録者

Lukacs, C.M.,Janson, C.,Schuck, V.,Belunis, C. (登録日: 2010-09-08, 公開日: 2011-07-27, 最終更新日: 2024-02-21)

• 主引用文献: Isshiki, Y.,Kohchi, Y.,Iikura, H.,Matsubara, Y.,Asoh, K.,Murata, T.,Kohchi, M.,Mizuguchi, E.,Tsujii, S.,Hattori, K.,Miura, T.,Yoshimura, Y.,Aida, S.,Miwa, M.,Saitoh, R.,Murao, N.,Okabe, H.,Belunis, C.,Janson, C.,Lukacs, C.,Schuck, V.,Shimma, N.; Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.; Bioorg.Med.Chem.Lett., 21:1795-1801, 2011; PubMed: 21316218; DOI: 10.1016/j.bmcl.2011.01.062

実験手法

X-RAY DIFFRACTION (2.8 Å)