3JSG

Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution

3JSG の概要

• エントリーDOI: 10.2210/pdb3jsg/pdb
• 関連するPDBエントリー: 3JSF 3JTU
• 分子名称: Macrophage migration inhibitory factor, 7-(pyridin-3-ylmethyl)quinolin-8-ol, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: protein-ligand complex, cytokine, cytoplasm, immune response, inflammatory response, innate immunity, isomerase, phosphoprotein, secreted
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted : P14174
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 41275.62

構造登録者

Mclean, L.,Zhang, Y. (登録日: 2009-09-10, 公開日: 2009-11-10, 最終更新日: 2024-11-20)

主引用文献

McLean, L.R.,Zhang, Y.,Li, H.,Li, Z.,Lukasczyk, U.,Choi, Y.M.,Han, Z.,Prisco, J.,Fordham, J.,Tsay, J.T.,Reiling, S.,Vaz, R.J.,Li, Y.
Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19:6717-6720, 2009

PubMed Abstract: Biochemical and X-ray crystallographic studies confirmed that hydroxyquinoline derivatives identified by virtual screening were actually covalent inhibitors of the MIF tautomerase. Adducts were formed by N-alkylation of the Pro-1 at the catalytic site with a loss of an amino group of the inhibitor.

PubMed: 19836948
DOI: 10.1016/j.bmcl.2009.09.106

実験手法

X-RAY DIFFRACTION (1.58 Å)