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Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor:	Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:	Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I.
Deposit date:	2019-04-08
Release date:	2020-01-15
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden. Chemmedchem, 14, 2019

Structure of BACE complexed to compound 1
Descriptor:	3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE, Beta-secretase 1
Authors:	Sharff, A.J.
Deposit date:	2007-05-23
Release date:	2007-08-14
Last modified:	2021-10-20
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead. J.Med.Chem., 50, 2007

Structure of BACE complexed to compound 3a
Descriptor:	(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1
Authors:	Sharff, A.J.
Deposit date:	2007-05-23
Release date:	2007-08-14
Last modified:	2021-10-20
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead. J.Med.Chem., 50, 2007