3LCO

Inhibitor Bound to A DFG-Out structure of the Kinase Domain of CSF-1R

3LCO の概要

• エントリーDOI: 10.2210/pdb3lco/pdb
• 関連するPDBエントリー: 3LCD
• 分子名称: Macrophage colony-stimulating factor 1 receptor, 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine (2 entities in total)
• 機能のキーワード: atp-binding, disulfide bond, glycoprotein, immunoglobulin domain, kinase, membrane, nucleotide-binding, phosphoprotein, proto-oncogene, receptor, transferase, transmembrane, tyrosine-protein kinase
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Cell membrane; Single-pass type I membrane protein: P07333
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36729.04

構造登録者

Kamtekar, S.,Day, J.E.,Reitz, B.A.,Mathis, K.J.,Meyers, M.J. (登録日: 2010-01-11, 公開日: 2010-09-15, 最終更新日: 2024-02-21)

主引用文献

Meyers, M.J.,Pelc, M.,Kamtekar, S.,Day, J.,Poda, G.I.,Hall, M.K.,Michener, M.L.,Reitz, B.A.,Mathis, K.J.,Pierce, B.S.,Parikh, M.D.,Mischke, D.A.,Long, S.A.,Parlow, J.J.,Anderson, D.R.,Thorarensen, A.
Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode.
Bioorg.Med.Chem.Lett., 20:1543-1547, 2010

PubMed Abstract: The work described herein demonstrates the utility of structure-based drug design (SBDD) in shifting the binding mode of an HTS hit from a DFG-in to a DFG-out binding mode resulting in a class of novel potent CSF-1R kinase inhibitors suitable for lead development.

PubMed: 20137931
DOI: 10.1016/j.bmcl.2010.01.078

実験手法

X-RAY DIFFRACTION (3.4 Å)