4EXG

Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors

4EXG の概要

• エントリーDOI: 10.2210/pdb4exg/pdb
• 関連するPDBエントリー: 4EWO
• 分子名称: Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide (3 entities in total)
• 機能のキーワード: bace, beta-secretase, statine, inhibitor, aspartyl protease, glycoprotein, membrane, protease, transmembrane, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P56817
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43480.16

構造登録者

Borkakoti, N.,Lindberg, J.,Derbyshire, D. (登録日: 2012-04-30, 公開日: 2012-10-31)

• 主引用文献: Sund, C.,Belda, O.,Borkakoti, N.,Lindberg, J.,Derbyshire, D.,Vrang, L.,Hamelink, E.,Hgren, C.,Woestenenk, E.,Wikstrom, K.,Eneroth, A.,Lindstrom, E.,Kalayanov, G.; Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.; Bioorg.Med.Chem.Lett., 22:6721-6727, 2012; PubMed: 23010268; DOI: 10.1016/j.bmcl.2012.08.097

実験手法

X-RAY DIFFRACTION (1.8 Å)