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PDB: 2 件

4DPF
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BU of 4dpf by Molmil
BACE-1 in complex with a HEA-macrocyclic type inhibitor
分子名称: Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide
著者Lindberg, J, Borkakoti, N, Derbyshire, D.
登録日2012-02-13
公開日2012-07-11
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
4DPI
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BU of 4dpi by Molmil
BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512
分子名称: (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1
著者Lindberg, J, Borkakoti, N, Derbyshire, D.
登録日2012-02-13
公開日2012-07-11
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012

223532

件を2024-08-07に公開中

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