4J0Z
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,5R)-2-amino-5-fluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Summary for 4J0Z
Entry DOI | 10.2210/pdb4j0z/pdb |
Related | 4J0P 4J0T 4J0V 4J0Y |
Descriptor | Beta-secretase 1, SODIUM ION, DIMETHYL SULFOXIDE, ... (5 entities in total) |
Functional Keywords | protease 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 | 46067.45 |
Authors | Kuglstatter, A.,Stihle, M. (deposition date: 2013-01-31, release date: 2013-05-01, Last modification date: 2017-11-15) |
Primary citation | Hilpert, H.,Guba, W.,Woltering, T.J.,Wostl, W.,Pinard, E.,Mauser, H.,Mayweg, A.V.,Rogers-Evans, M.,Humm, R.,Krummenacher, D.,Muser, T.,Schnider, C.,Jacobsen, H.,Ozmen, L.,Bergadano, A.,Banner, D.W.,Hochstrasser, R.,Kuglstatter, A.,David-Pierson, P.,Fischer, H.,Polara, A.,Narquizian, R. beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56:3980-3995, 2013 Cited by PubMed: 23590342DOI: 10.1021/jm400225m PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.13 Å) |
Structure validation
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