5V0N

BACE1 in complex with inhibitor 5g

5V0N の概要

• エントリーDOI: 10.2210/pdb5v0n/pdb
• 分子名称: Beta-secretase 1, SULFATE ION, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... (6 entities in total)
• 機能のキーワード: bace1-inhibitor complex, memapsin 2, 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: 3
• 化学式量合計: 149759.14

構造登録者

Mesecar, A.,Ghosh, A.,Yen, Y.-C. (登録日: 2017-02-28, 公開日: 2017-05-03, 最終更新日: 2023-10-04)

• 主引用文献: Ghosh, A.K.,Brindisi, M.,Yen, Y.C.,Cardenas, E.L.,Ella-Menye, J.R.,Kumaragurubaran, N.,Huang, X.,Tang, J.,Mesecar, A.D.; Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.; Bioorg. Med. Chem. Lett., 27:2432-2438, 2017; PubMed: 28427814; DOI: 10.1016/j.bmcl.2017.04.011

実験手法

X-RAY DIFFRACTION (2.155 Å)