5K4I

Crystal Structure of ERK2 in complex with compound 22

5K4I の概要

• エントリーDOI: 10.2210/pdb5k4i/pdb
• 関連するPDBエントリー: 5K4J
• 分子名称: Mitogen-activated protein kinase 1, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm, cytoskeleton, spindle : P28482
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41394.94

構造登録者

Yin, J.,Wang, W. (登録日: 2016-05-20, 公開日: 2016-07-06, 最終更新日: 2024-03-06)

• 主引用文献: Blake, J.F.,Burkard, M.,Chan, J.,Chen, H.,Chou, K.J.,Diaz, D.,Dudley, D.A.,Gaudino, J.J.,Gould, S.E.,Grina, J.,Hunsaker, T.,Liu, L.,Martinson, M.,Moreno, D.,Mueller, L.,Orr, C.,Pacheco, P.,Qin, A.,Rasor, K.,Ren, L.,Robarge, K.,Shahidi-Latham, S.,Stults, J.,Sullivan, F.,Wang, W.,Yin, J.,Zhou, A.,Belvin, M.,Merchant, M.,Moffat, J.,Schwarz, J.B.; Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.; J.Med.Chem., 59:5650-5660, 2016; PubMed: 27227380; DOI: 10.1021/acs.jmedchem.6b00389

実験手法

X-RAY DIFFRACTION (1.76 Å)