3DDG

GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) methylpyrrolidin-2-one

3DDG の概要

• エントリーDOI: 10.2210/pdb3ddg/pdb
• 関連するPDBエントリー: 1HTY 1QWN 2ALW 2F18 2F1A 2F1B 2F7O 2F7P 3BLB 3BUB 3DDF
• 分子名称: alpha-mannosidase 2, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... (7 entities in total)
• 機能のキーワード: gh38 glycosidase, hydrolase
• 由来する生物種: Drosophila melanogaster (fruit fly)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 120481.70

構造登録者

Kuntz, D.A.,Rose, D.R.,Hoffman, D. (登録日: 2008-06-05, 公開日: 2008-07-01, 最終更新日: 2024-10-30)

主引用文献

Fiaux, H.,Kuntz, D.A.,Hoffman, D.,Janzer, R.C.,Gerber-Lemaire, S.,Rose, D.R.,Juillerat-Jeanneret, L.
Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site
Bioorg.Med.Chem., 16:7337-7346, 2008

PubMed Abstract: Refining the chemical structure of functionalized pyrrolidine-based inhibitors of Golgi alpha-mannosidase II (GMII) to optimize binding affinity provided a lead molecule that demonstrated nanomolar competitive inhibition of alpha-mannosidases II and an optimal fit in the active site of Drosophila GMII by X-ray crystallography. Esters of this lead compound also inhibited the growth of human glioblastoma and brain-derived endothelial cells more than the growth of non-tumoral human fibroblasts, suggesting their potential for anti-cancer therapy.

PubMed: 18599296
DOI: 10.1016/j.bmc.2008.06.021

実験手法

X-RAY DIFFRACTION (1.74 Å)