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5HE5

BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium

5HE5 の概要
エントリーDOI10.2210/pdb5he5/pdb
関連するPDBエントリー5HD0 5HDU 5HDV 5HDX 5HDZ 5HE4 5HE7
分子名称Beta-secretase 1, L(+)-TARTARIC ACID, 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, ... (4 entities in total)
機能のキーワードalzheimer's, aspartyl protease, hydrolase, 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2
化学式量合計93628.95
構造登録者
Orth, P. (登録日: 2016-01-05, 公開日: 2016-03-16, 最終更新日: 2016-04-27)
主引用文献Mandal, M.,Wu, Y.,Misiaszek, J.,Li, G.,Buevich, A.,Caldwell, J.P.,Liu, X.,Mazzola, R.D.,Orth, P.,Strickland, C.,Voigt, J.,Wang, H.,Zhu, Z.,Chen, X.,Grzelak, M.,Hyde, L.A.,Kuvelkar, R.,Leach, P.T.,Terracina, G.,Zhang, L.,Zhang, Q.,Michener, M.S.,Smith, B.,Cox, K.,Grotz, D.,Favreau, L.,Mitra, K.,Kazakevich, I.,McKittrick, B.A.,Greenlee, W.,Kennedy, M.E.,Parker, E.M.,Cumming, J.N.,Stamford, A.W.
Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59:3231-3248, 2016
Cited by
PubMed: 26937601
DOI: 10.1021/acs.jmedchem.5b01995
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.55 Å)
構造検証レポート
Validation report summary of 5he5
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2024-03-27に公開中

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