5T1W

Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality

Summary for 5T1W

• Entry DOI: 10.2210/pdb5t1w/pdb
• Related: 5T1U
• Descriptor: Beta-secretase 1, (4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, IODIDE ION, ... (7 entities in total)
• Functional Keywords: beta secretase, alzheimer's, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 47720.40

Authors

Parris, K.D.,Vajdos, F. (deposition date: 2016-08-22, release date: 2017-01-11, Last modification date: 2017-01-25)

• Primary citation: Butler, C.R.,Ogilvie, K.,Martinez-Alsina, L.,Barreiro, G.,Beck, E.M.,Nolan, C.E.,Atchison, K.,Benvenuti, E.,Buzon, L.,Doran, S.,Gonzales, C.,Helal, C.J.,Hou, X.,Hsu, M.H.,Johnson, E.F.,Lapham, K.,Lanyon, L.,Parris, K.,O'Neill, B.T.,Riddell, D.,Robshaw, A.,Vajdos, F.,Brodney, M.A.; Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.; J. Med. Chem., 60:386-402, 2017; PubMed: 27997172; DOI: 10.1021/acs.jmedchem.6b01451

Experimental method

X-RAY DIFFRACTION (2.96 Å)