4J1F

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide

4J1F の概要

• エントリーDOI: 10.2210/pdb4j1f/pdb
• 関連するPDBエントリー: 4J0P 4J0T 4J0V 4J0Y 4J0Z 4J17 4J1C 4J1E 4J1H 4J1I 4J1K
• 分子名称: Beta-secretase 1, SODIUM ION, DIMETHYL SULFOXIDE, ... (5 entities in total)
• 機能のキーワード: protease inhibitor, 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: 46099.47

構造登録者

Kuglstatter, A.,Stihle, M. (登録日: 2013-02-01, 公開日: 2013-05-01, 最終更新日: 2017-11-15)

• 主引用文献: Hilpert, H.,Guba, W.,Woltering, T.J.,Wostl, W.,Pinard, E.,Mauser, H.,Mayweg, A.V.,Rogers-Evans, M.,Humm, R.,Krummenacher, D.,Muser, T.,Schnider, C.,Jacobsen, H.,Ozmen, L.,Bergadano, A.,Banner, D.W.,Hochstrasser, R.,Kuglstatter, A.,David-Pierson, P.,Fischer, H.,Polara, A.,Narquizian, R.; beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease; J.Med.Chem., 56:3980-3995, 2013; PubMed: 23590342; DOI: 10.1021/jm400225m

実験手法

X-RAY DIFFRACTION (2.25 Å)