3KGA

Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor

3KGA の概要

• エントリーDOI: 10.2210/pdb3kga/pdb
• 分子名称: MAP kinase-activated protein kinase 2, MAGNESIUM ION, 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, ... (4 entities in total)
• 機能のキーワード: small molecule inhibitor, 3-aminopyrazole scaffold, scaffold hoping, atp-site kinase inhibitor, induced fit, novel hydrophobic pocket, activation loop deletion, alternative splicing, atp-binding, kinase, nucleotide-binding, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase
• 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: 35007.83

構造登録者

Kroemer, M.,Velcicky, J.,Izaac, A.,Be, C.,Huppertz, C.,Pflieger, D.,Schlapbach, A.,Scheufler, C. (登録日: 2009-10-28, 公開日: 2010-01-26, 最終更新日: 2024-02-21)

• 主引用文献: Velcicky, J.,Feifel, R.,Hawtin, S.,Heng, R.,Huppertz, C.,Koch, G.,Kroemer, M.,Moebitz, H.,Revesz, L.,Scheufler, C.,Schlapbach, A.; Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.; Bioorg.Med.Chem.Lett., 20:1293-1297, 2010; PubMed: 20060294; DOI: 10.1016/j.bmcl.2009.10.138

実験手法

X-RAY DIFFRACTION (2.55 Å)