6IG8

Crystal structure of CSF-1R kinase domain with a small molecular inhibitor, JTE-952

6IG8 の概要

• エントリーDOI: 10.2210/pdb6ig8/pdb
• 分子名称: Macrophage colony-stimulating factor 1 receptor, MAGNESIUM ION, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: csf-1-r, fms proto-oncogene, c-fms, cd115 antigen, kinase, atp-binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36939.87

構造登録者

Doi, S.,Adachi, T. (登録日: 2018-09-25, 公開日: 2019-08-07, 最終更新日: 2023-11-22)

主引用文献

Ikegashira, K.,Ikenogami, T.,Yamasaki, T.,Hase, Y.,Yamaguchi, T.,Inagaki, K.,Doi, S.,Adachi, T.,Koga, Y.,Hashimoto, H.
Discovery of a novel azetidine scaffold for colony stimulating factor-1 receptor (CSF-1R) Type II inhibitors by the use of docking models.
Bioorg.Med.Chem.Lett., 29:115-118, 2019

PubMed Abstract: We report the discovery of a novel azetidine scaffold for colony stimulating factor-1 receptor (CSF-1R) Type II inhibitors by using a structure-based drug design (SBDD) based on a docking model. The work leads to the representative compound 4a with high CSF-1R inhibitory activity (IC = 9.1 nM). The obtained crystal structure of an azetidine compound with CSF-1R, which matched our predicted docking model, demonstrates that the azetidine compounds bind to the DFG-out conformation of the protein as a Type II inhibitor.

PubMed: 30442420
DOI: 10.1016/j.bmcl.2018.10.051

実験手法

X-RAY DIFFRACTION (1.8 Å)