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BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor:	8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:	Orth, P.
Deposit date:	2015-05-07
Release date:	2015-08-05
Last modified:	2015-10-28
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency. Bioorg.Med.Chem.Lett., 25, 2015

Crystal structure of PDE2 in complex with complex 9
Descriptor:	1,2-ETHANEDIOL, 6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ...
Authors:	Lu, J.
Deposit date:	2017-10-10
Release date:	2017-11-22
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (1.76 Å)
Cite:	The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017

Crystal Structure of PDE2 in complex with compound 16
Descriptor:	1,2-ETHANEDIOL, 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ...
Authors:	Lu, J.
Deposit date:	2017-10-10
Release date:	2017-11-22
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (1.88 Å)
Cite:	The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017

PDE2 in complex with compound 1
Descriptor:	6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ...
Authors:	Lu, J.
Deposit date:	2017-10-10
Release date:	2017-11-22
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (1.97 Å)
Cite:	The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017