6JT4

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

Summary for 6JT4

Entry DOI	10.2210/pdb6jt4/pdb
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
Functional Keywords	gs-hbace1(43-454), hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	47419.35
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. (deposition date: 2019-04-08, release date: 2020-01-15, Last modification date: 2023-11-22)
Primary citation	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.,Van Den Bergh, A.,Verboven, P.,Bischoff, F.,Gijsen, H.J.M.,Yamano, Y.,Kusakabe, K. Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden. Chemmedchem, 14:1894-1910, 2019 Cited by PubMed: 31657130 DOI: 10.1002/cmdc.201900478 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation