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PDB: 3 件

4LXA
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BU of 4lxa by Molmil
Crystal Structure of Human Beta Secretase in Complex with Compound 11a
分子名称: (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1, GLYCEROL, ...
著者Rondeau, J.M, Bourgier, E.
登録日2013-07-29
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013
4LXM
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BU of 4lxm by Molmil
Crystal Structure of Human Beta Secretase in Complex with compound 12a
分子名称: (1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1
著者Rondeau, J.M, Bourgier, E.
登録日2013-07-30
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013
4LXK
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BU of 4lxk by Molmil
Crystal Structure of Human Beta Secretase in Complex with compound 11d
分子名称: (1R,3S,4S,5R)-3-(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1, GLYCEROL
著者Rondeau, J.M, Bourgier, E.
登録日2013-07-30
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013

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件を2024-08-07に公開中

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