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5DQC
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CO-CRYSTAL OF BACE1 WITH COMPOUND 0211
Descriptor:Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Ghosh, A.K., Bhavanam, S.R., Yen, T.-C., Cardenas, E.L., Rao, K.V., Downs, D., Huang, X., Tang, J., Mescar, A.D.
Deposit date:2015-09-14
Release date:2016-02-17
Last modified:2016-07-13
Method:X-RAY DIFFRACTION (2.4651 Å)
Cite:Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
5V0N
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BACE1 IN COMPLEX WITH INHIBITOR 5G
Descriptor:Beta-secretase 1, SULFATE ION, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ...
Authors:Mesecar, A., Ghosh, A., Yen, Y.-C.
Deposit date:2017-02-28
Release date:2017-05-03
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.
Bioorg. Med. Chem. Lett., 27, 2017