4DJY
Structure of BACE Bound to (R)-5-cyclopropyl-2-imino-3-methyl-5-(3-(5-(prop-1-yn-1-yl)pyridin-3-yl)phenyl)imidazolidin-4-one
Summary for 4DJY
Entry DOI | 10.2210/pdb4djy/pdb |
Related | 4DJU 4DJV 4DJW 4DJX |
Descriptor | Beta-secretase 1, (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one, L(+)-TARTARIC ACID, ... (4 entities in total) |
Functional Keywords | bace1, alzheimers, 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 | 2 |
Total formula weight | 93488.85 |
Authors | Strickland, C.,Cumming, J. (deposition date: 2012-02-02, release date: 2012-03-21, Last modification date: 2012-04-04) |
Primary citation | Cumming, J.N.,Smith, E.M.,Wang, L.,Misiaszek, J.,Durkin, J.,Pan, J.,Iserloh, U.,Wu, Y.,Zhu, Z.,Strickland, C.,Voigt, J.,Chen, X.,Kennedy, M.E.,Kuvelkar, R.,Hyde, L.A.,Cox, K.,Favreau, L.,Czarniecki, M.F.,Greenlee, W.J.,McKittrick, B.A.,Parker, E.M.,Stamford, A.W. Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22:2444-2449, 2012 Cited by PubMed: 22390835DOI: 10.1016/j.bmcl.2012.02.013 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.86 Å) |
Structure validation
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