4XKX

Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28

4XKX の概要

• エントリーDOI: 10.2210/pdb4xkx/pdb
• 関連するPDBエントリー: 4RCD 4RCE 4RCF 4WTU
• 分子名称: Beta-secretase 1, IODIDE ION, (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, ... (5 entities in total)
• 機能のキーワード: aspartic protease, 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: 1
• 化学式量合計: 46957.65

構造登録者

Whittington, D.A.,Long, A.M. (登録日: 2015-01-12, 公開日: 2015-02-04, 最終更新日: 2023-09-27)

• 主引用文献: Chen, J.J.,Liu, Q.,Yuan, C.,Gore, V.,Lopez, P.,Ma, V.,Amegadzie, A.,Qian, W.,Judd, T.C.,Minatti, A.E.,Brown, J.,Cheng, Y.,Xue, M.,Zhong, W.,Dineen, T.A.,Epstein, O.,Human, J.,Kreiman, C.,Marx, I.,Weiss, M.M.,Hitchcock, S.A.,Powers, T.S.,Chen, K.,Wen, P.H.,Whittington, D.A.,Cheng, A.C.,Bartberger, M.D.,Hickman, D.,Werner, J.A.,Vargas, H.M.,Everds, N.E.,Vonderfecht, S.L.,Dunn, R.T.,Wood, S.,Fremeau, R.T.,White, R.D.,Patel, V.F.; Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.; Bioorg.Med.Chem.Lett., 25:767-774, 2015; PubMed: 25613679; DOI: 10.1016/j.bmcl.2014.12.092

実験手法

X-RAY DIFFRACTION (1.8 Å)