5EZZ
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine
Summary for 5EZZ
Entry DOI | 10.2210/pdb5ezz/pdb |
Related | 5EZX |
Descriptor | Beta-secretase 1, (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, DIMETHYL SULFOXIDE, ... (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 | 43965.86 |
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 Cited by PubMed: 26878596DOI: 10.1021/acs.jmedchem.5b01875 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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