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2G94

Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.

2G94 の概要
エントリーDOI10.2210/pdb2g94/pdb
分子名称Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE (3 entities in total)
機能のキーワードbeta secretase, alzheimer's disease, memapsin, bace, asp2, aspartic protease, drug design, protease inhibitor, 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4
化学式量合計175886.62
構造登録者
Hong, L.,Ghosh, A.,Tang, J. (登録日: 2006-03-05, 公開日: 2006-04-25, 最終更新日: 2023-08-30)
主引用文献Ghosh, A.K.,Kumaragurubaran, N.,Hong, L.,Lei, H.,Hussain, K.A.,Liu, C.F.,Devasamudram, T.,Weerasena, V.,Turner, R.,Koelsch, G.,Bilcer, G.,Tang, J.
Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128:5310-5311, 2006
Cited by
PubMed: 16620080
DOI: 10.1021/ja058636j
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.86 Å)
構造検証レポート
Validation report summary of 2g94
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2024-09-18に公開中

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