5TOL

CRYSTAL STRUCTURE OF BETA-SITE APP-CLEAVING ENZYME 1 COMPLEXED WITH N-(3-((4AS,7AS)-2-AMINO-4,4A,5,6-TETRAHYDRO-7AH-FURO[2,3-D][1,3]THIAZIN-7A-YL)-4-FLUOROPHENYL)-5-BROMO-2-PYRIDINECARBOXAMIDE

5TOL の概要

• エントリーDOI: 10.2210/pdb5tol/pdb
• 分子名称: Beta-secretase 1, N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide (3 entities in total)
• 機能のキーワード: aspartyl protease, bace1, kiaa1149, asp2, flj90568, bace, hspc104, hydrolase
• 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: 46374.86

構造登録者

Muckelbauer, J.K. (登録日: 2016-10-18, 公開日: 2016-11-23, 最終更新日: 2016-12-07)

• 主引用文献: Wu, Y.J.,Guernon, J.,Rajamani, R.,Toyn, J.H.,Ahlijanian, M.K.,Albright, C.F.,Muckelbauer, J.,Chang, C.,Camac, D.,Macor, J.E.,Thompson, L.A.; Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors.; Bioorg.Med.Chem.Lett., 26:5729-5731, 2016; PubMed: 27816517; DOI: 10.1016/j.bmcl.2016.10.055

実験手法

X-RAY DIFFRACTION (2.51 Å)