2VA7

X-ray crystal structure of beta secretase complexed with compound 27

2VA7 の概要

• エントリーDOI: 10.2210/pdb2va7/pdb
• 関連するPDBエントリー: 1FKN 1M4H 1PY1 1SGZ 1TQF 1UJJ 1UJK 1W50 1W51 1XN2 1XN3 1XS7 1YM2 1YM4 2B8L 2B8V 2VA5 2VA6
• 分子名称: BETA-SECRETASE 1 ., IODIDE ION, (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, ... (4 entities in total)
• 機能のキーワード: base, zymogen, protease, membrane, hydrolase, alzheimer's disease, alternative splicing, memapsin 2, glycoprotein, transmembrane, beta-secretase, aspartyl protease, aspartic protease
• 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: 50926.71

構造登録者

Edwards, P.D.,Albert, J.S.,Sylvester, M.,Aharony, D.,Andisik, D.,Callaghan, O.,Campbell, J.B.,Carr, R.A.,Chessari, G.,Congreve, M.,Frederickson, M.,Folmer, R.H.A.,Geschwindner, S.,Koether, G.,Kolmodin, K.,Krumrine, J.,Mauger, R.C.,Murray, C.W.,Olsson, L.L.,Patel, S.,Spear, N.,Tian, G. (登録日: 2007-08-30, 公開日: 2007-11-13, 最終更新日: 2023-12-13)

• 主引用文献: Edwards, P.D.,Albert, J.S.,Sylvester, M.,Aharony, D.,Andisik, D.,Callaghan, O.,Campbell, J.B.,Carr, R.A.,Chessari, G.,Congreve, M.,Frederickson, M.,Folmer, R.H.A.,Geschwindner, S.,Koether, G.,Kolmodin, K.,Krumrine, J.,Mauger, R.C.,Murray, C.W.,Olsson, L.L.,Patel, S.,Spear, N.,Tian, G.; Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.; J.Med.Chem., 50:5912-, 2007; PubMed: 17985862; DOI: 10.1021/JM070829P

実験手法

X-RAY DIFFRACTION (2.2 Å)