5EZX

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone

Summary for 5EZX

• Entry DOI: 10.2210/pdb5ezx/pdb
• Descriptor: Beta-secretase 1, [(1~{R},2~{R})-2-[(4~{S})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{H}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone, SODIUM ION, ... (5 entities in total)
• Functional Keywords: protease inhibitor, hydrolase, hydrolase inhibitor complex, hydrolase-inhibitor complex, 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: 43943.81

Authors

Banner, D.,Benz, J.,Stihle, M.,Kuglstatter, A. (deposition date: 2015-11-27, release date: 2016-02-24, Last modification date: 2016-05-25)

• Primary citation: Kuhn, B.,Guba, W.,Hert, J.,Banner, D.,Bissantz, C.,Ceccarelli, S.,Haap, W.,Korner, M.,Kuglstatter, A.,Lerner, C.,Mattei, P.,Neidhart, W.,Pinard, E.,Rudolph, M.G.,Schulz-Gasch, T.,Woltering, T.,Stahl, M.; A Real-World Perspective on Molecular Design.; J.Med.Chem., 59:4087-4102, 2016; PubMed: 26878596; DOI: 10.1021/acs.jmedchem.5b01875

Experimental method

X-RAY DIFFRACTION (1.9 Å)