6JSE

Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide

Summary for 6JSE

Entry DOI	10.2210/pdb6jse/pdb
Related	6JSF 6JSG 6JSN 6JSZ
Descriptor	Beta-secretase 1, IODIDE ION, DIMETHYL SULFOXIDE, ... (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	47702.11
Authors	Fujimoto, K.,Matsuoka, E.,Asada, N.,Tadano, G.,Yamamoto, T.,Nakahara, K.,Fuchino, K.,Ito, H.,Kanegawa, N.,Moechars, D.,Gijsen, H.J.M.,Kusakabe, K.I. (deposition date: 2019-04-08, release date: 2019-08-28, Last modification date: 2023-11-22)
Primary citation	Fujimoto, K.,Matsuoka, E.,Asada, N.,Tadano, G.,Yamamoto, T.,Nakahara, K.,Fuchino, K.,Ito, H.,Kanegawa, N.,Moechars, D.,Gijsen, H.J.M.,Kusakabe, K.I. Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62:5080-5095, 2019 Cited by PubMed: 31021626 DOI: 10.1021/acs.jmedchem.9b00309 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation