5HD0
BACE-1 in complex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
Summary for 5HD0
Entry DOI | 10.2210/pdb5hd0/pdb |
Related | 5HDU 5HDV 5HDX 5HDZ 5HE4 5HE5 5HE7 |
Descriptor | Beta-secretase 1, L(+)-TARTARIC ACID, 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, ... (4 entities in total) |
Functional Keywords | aspartyl protease, beta-site amyloid precursor protein cleaving enzyme 1, beta-site app cleaving enzyme 1, 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 | 93695.00 |
Authors | Orth, P. (deposition date: 2016-01-04, release date: 2016-03-16, Last modification date: 2016-04-27) |
Primary citation | Mandal, M.,Wu, Y.,Misiaszek, J.,Li, G.,Buevich, A.,Caldwell, J.P.,Liu, X.,Mazzola, R.D.,Orth, P.,Strickland, C.,Voigt, J.,Wang, H.,Zhu, Z.,Chen, X.,Grzelak, M.,Hyde, L.A.,Kuvelkar, R.,Leach, P.T.,Terracina, G.,Zhang, L.,Zhang, Q.,Michener, M.S.,Smith, B.,Cox, K.,Grotz, D.,Favreau, L.,Mitra, K.,Kazakevich, I.,McKittrick, B.A.,Greenlee, W.,Kennedy, M.E.,Parker, E.M.,Cumming, J.N.,Stamford, A.W. Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59:3231-3248, 2016 Cited by PubMed: 26937601DOI: 10.1021/acs.jmedchem.5b01995 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
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