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4J0P

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide

Summary for 4J0P
Entry DOI10.2210/pdb4j0p/pdb
Related4J0T 4J0V 4J0Y 4J0Z
DescriptorBeta-secretase 1, SODIUM ION, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywordsprotease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight46031.47
Authors
Kuglstatter, A.,Stihle, M. (deposition date: 2013-01-31, release date: 2013-12-25, Last modification date: 2017-11-15)
Primary citationHilpert, 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: 23590342
DOI: 10.1021/jm400225m
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.97 Å)
Structure validation

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