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3DV1

Crystal structure of human beta-secretase in complex with NVP-ARV999

3DV1 の概要
エントリーDOI10.2210/pdb3dv1/pdb
関連するPDBエントリー3DUY 3DV5
分子名称Beta-secretase 1, (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide (3 entities in total)
機能のキーワードbeta-secretase, bace1, memapsin2, aspartic protease, enzyme inhibitor complex, alzheimer's disease, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, transmembrane, zymogen
由来する生物種Homo sapiens
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135650.90
構造登録者
Rondeau, J.-M. (登録日: 2008-07-18, 公開日: 2009-02-24, 最終更新日: 2024-10-16)
主引用文献Machauer, R.,Laumen, K.,Veenstra, S.,Rondeau, J.M.,Tintelnot-Blomley, M.,Betschart, C.,Jaton, A.L.,Desrayaud, S.,Staufenbiel, M.,Rabe, S.,Paganetti, P.,Neumann, U.
Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19:1366-1370, 2009
Cited by
PubMed Abstract: The macrocyclic peptidic BACE-1 inhibitors 2a-c show moderate enzymatic and cellular activity. By exchange of the hydroxyethylene- to ethanolamine-transition state mimetic the peptidic character was reduced, providing the highly potent and selective inhibitor 3. Variation of the P' moiety resulted in the macrocyclic inhibitor 14. Both macrocycles show inhibition of BACE-1 in the brain of APP51/16 transgenic mice, 3 (NB-544) after intravenous and 14 (NB-533) after oral application.
PubMed: 19195887
DOI: 10.1016/j.bmcl.2009.01.055
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.1 Å)
構造検証レポート
Validation report summary of 3dv1
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-07-30に公開中

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