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Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
Descriptor:	2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION
Authors:	Lougheed, J.C, Brecht, E, Yao, N.H.
Deposit date:	2012-11-19
Release date:	2013-03-06
Last modified:	2013-04-24
Method:	X-RAY DIFFRACTION (2.07 Å)
Cite:	Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013

Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor:	Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine, ZINC ION
Authors:	Yao, N, Brecht, E.
Deposit date:	2012-11-16
Release date:	2013-10-09
Method:	X-RAY DIFFRACTION (1.91 Å)
Cite:	Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013

SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors.
Descriptor:	(2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid, Beta-secretase 1
Authors:	Yao, N, Brecht, E.
Deposit date:	2012-11-16
Release date:	2013-03-06
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors To be Published

Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor:	3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
Authors:	Yao, N, Brecht, E.
Deposit date:	2012-11-16
Release date:	2013-03-06
Last modified:	2013-04-24
Method:	X-RAY DIFFRACTION (1.78 Å)
Cite:	Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013