4X2L
Crystal structure of human BACE-1 bound to Compound 6
Summary for 4X2L
Entry DOI | 10.2210/pdb4x2l/pdb |
Descriptor | Beta-secretase 1, (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, IODIDE ION, ... (7 entities in total) |
Functional Keywords | beta-secretase, protease, 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 | 47415.60 |
Authors | Vajdos, F.F.,Parris, K. (deposition date: 2014-11-26, release date: 2015-03-04, Last modification date: 2017-11-22) |
Primary citation | Butler, C.R.,Brodney, M.A.,Beck, E.M.,Barreiro, G.,Nolan, C.E.,Pan, F.,Vajdos, F.,Parris, K.,Varghese, A.H.,Helal, C.J.,Lira, R.,Doran, S.D.,Riddell, D.R.,Buzon, L.M.,Dutra, J.K.,Martinez-Alsina, L.A.,Ogilvie, K.,Murray, J.C.,Young, J.M.,Atchison, K.,Robshaw, A.,Gonzales, C.,Wang, J.,Zhang, Y.,O'Neill, B.T. Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58:2678-2702, 2015 Cited by PubMed: 25695670DOI: 10.1021/jm501833t PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.55 Å) |
Structure validation
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