6NV9

BACE1 in complex with a macrocyclic inhibitor

6NV9 の概要

• エントリーDOI: 10.2210/pdb6nv9/pdb
• 分子名称: Beta-secretase 1, (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: protease, inhibitor complex, peptide binding protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 132452.67

構造登録者

Yen, Y.C.,Ghosh, A.K.,Mesecar, A.D. (登録日: 2019-02-04, 公開日: 2019-10-09, 最終更新日: 2023-10-11)

• 主引用文献: Yen, Y.C.,Kammeyer, A.M.,Jensen, K.C.,Tirlangi, J.,Ghosh, A.K.,Mesecar, A.D.; Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.; Biochemistry, 58:4424-4435, 2019; PubMed: 31549827; DOI: 10.1021/acs.biochem.9b00714

実験手法

X-RAY DIFFRACTION (2.13 Å)