2VJ6

Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide

2VJ6 の概要

• エントリーDOI: 10.2210/pdb2vj6/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 2VA7 2VIE 2VIJ 2VIY 2VIZ 2VJ7
• 分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide (3 entities in total)
• 機能のキーワード: membrane, hydrolase, memapsin-2, glycoprotein
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 44325.04

構造登録者

Clarke, B.,Demont, E.,Dingwall, C.,Dunsdon, R.,Faller, A.,Hawkins, J.,Hussain, I.,MacPherson, D.,Maile, G.,Matico, R.,Milner, P.,Mosley, J.,Naylor, A.,O'Brien, A.,Redshaw, S.,Riddell, D.,Rowland, P.,Soleil, V.,Smith, K.,Stanway, S.,Stemp, G.,Sweitzer, S.,Theobald, P.,Vesey, D.,Walter, D.S.,Ward, J.,Wayne, G. (登録日: 2007-12-06, 公開日: 2008-01-29, 最終更新日: 2019-05-15)

• 主引用文献: Clarke, B.,Demont, E.,Dingwall, C.,Dunsdon, R.,Faller, A.,Hawkins, J.,Hussain, I.,Macpherson, D.,Maile, G.,Matico, R.,Milner, P.,Mosley, J.,Naylor, A.,O'Brien, A.,Redshaw, S.,Riddell, D.,Rowland, P.,Soleil, V.,Smith, K.,Stanway, S.,Stemp, G.,Sweitzer, S.,Theobald, P.,Vesey, D.,Walter, D.S.,Ward, J.,Wayne, G.; Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.; Bioorg.Med.Chem.Lett., 18:1017-, 2008; PubMed: 18166458; DOI: 10.1016/J.BMCL.2007.12.019

実験手法

X-RAY DIFFRACTION (1.8 Å)