5J6A

Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46

5J6A の概要

• エントリーDOI: 10.2210/pdb5j6a/pdb
• 関連するPDBエントリー: 4MP2 4MP7 4MPC 4MPE 4MPN 5J71
• 分子名称: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide (3 entities in total)
• 機能のキーワード: ghkl protein kinase, pyruvate dehydrogenase complex, mitochondrial protein kinases, impaired glucose oxidation, hepatic steatosis, type 2 diabetes, cancer, bergerat nucleotide-binding fold, protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 45734.96

構造登録者

Gui, W.J.,Tso, S.C.,Chuang, J.L.,Wu, C.Y.,Qi, X.,Wynn, R.M.,Chuang, D.T. (登録日: 2016-04-04, 公開日: 2017-01-25, 最終更新日: 2023-09-27)

• 主引用文献: Tso, S.C.,Lou, M.,Wu, C.Y.,Gui, W.J.,Chuang, J.L.,Morlock, L.K.,Williams, N.S.,Wynn, R.M.,Qi, X.,Chuang, D.T.; Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.; J. Med. Chem., 60:1142-1150, 2017; PubMed: 28085286; DOI: 10.1021/acs.jmedchem.6b01540

実験手法

X-RAY DIFFRACTION (2.045 Å)