2WF3

Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide

2WF3 の概要

• エントリーDOI: 10.2210/pdb2wf3/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 2FDP 2VA5 2VA6 2VA7 2VIE 2VIJ 2VIY 2VIZ 2VJ6 2VJ7 2VJ9 2VKM 2VNM 2VNN 2WEZ 2WF0 2WF1 2WF2 2WF4
• 分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: hydrolase, memapsin-2, polymorphism, glycoprotein, asp-2, bace-1, zymogen, protease, membrane, transmembrane, beta-secretase, disulfide bond, aspartyl protease, alternative splicing, beta-site app cleaving enzyme
• 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: 44710.43

構造登録者

Charrier, N.,Clarke, B.,Demont, E.,Dingwall, C.,Dunsdon, R.,Hawkins, J.,Hubbard, J.,Hussain, I.,Maile, G.,Matico, R.,Mosley, J.,Naylor, A.,O'Brien, A.,Redshaw, S.,Rowland, P.,Soleil, V.,Smith, K.J.,Sweitzer, S.,Theobald, P.,Vesey, D.,Walter, D.S.,Wayne, G. (登録日: 2009-04-02, 公開日: 2009-05-19, 最終更新日: 2019-05-15)

• 主引用文献: Charrier, N.,Clarke, B.,Demont, E.,Dingwall, C.,Dunsdon, R.,Hawkins, J.,Hubbard, J.,Hussain, I.,Maile, G.,Matico, R.,Mosley, J.,Naylor, A.,O'Brien, A.,Redshaw, S.,Rowland, P.,Soleil, V.,Smith, K.J.,Sweitzer, S.,Theobald, P.,Vesey, D.,Walter, D.S.,Wayne, G.; Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.; Bioorg.Med.Chem.Lett., 19:3669-, 2009; PubMed: 19477642; DOI: 10.1016/J.BMCL.2009.03.150

実験手法

X-RAY DIFFRACTION (2.08 Å)