3HMM

Structure of Alk5 + GW855857

「3GXJ」から置き換えられました

3HMM の概要

• エントリーDOI: 10.2210/pdb3hmm/pdb
• 関連するPDBエントリー: 3GXL
• 分子名称: TGF-beta receptor type-1, 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine (3 entities in total)
• 機能のキーワード: tgf-beta, alk5, kinase, inhibitor, quinazoline, aortic aneurysm, atp-binding, craniosynostosis, disease mutation, disulfide bond, glycoprotein, magnesium, manganese, membrane, metal-binding, nucleotide-binding, phosphoprotein polymorphism, receptor, serine/threonine-protein kinase, transferase, transmembrane
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cell membrane ; Single-pass type I membrane protein : P36897
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35037.35

構造登録者

Smith, W.,Janson, C. (登録日: 2009-05-29, 公開日: 2009-06-23, 最終更新日: 2023-11-01)

主引用文献

Gellibert, F.,Fouchet, M.-H.,Nguyen, V.-L.,Wang, R.,Krysa, G.,de Gouville, A.-C.,Huet, S.,Dodic, N.
Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
Bioorg.Med.Chem.Lett., 19:2277-2281, 2009

PubMed Abstract: Starting from quinazoline 3a, we designed potent and selective ALK5 inhibitors over p38MAP kinase from a rational drug design approach based on co-crystal structures in the human ALK5 kinase domain. The quinazoline 3d exhibited also in vivo activity in an acute rat model of DMN-induced liver fibrosis when administered orally at 5mg/kg (bid).

PubMed: 19285388
DOI: 10.1016/j.bmcl.2009.02.087

実験手法

X-RAY DIFFRACTION (1.7 Å)