5F01
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide
Summary for 5F01
Entry DOI | 10.2210/pdb5f01/pdb |
Related | 5EZX 5EZZ 5F00 |
Descriptor | Beta-secretase 1, SODIUM ION, DIMETHYL SULFOXIDE, ... (7 entities in total) |
Functional Keywords | protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase |
Biological source | Homo sapiens (Human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 44160.08 |
Authors | Banner, D.,Benz, J.,Stihle, M.,Kuglstatter, A. (deposition date: 2015-11-27, release date: 2016-02-24, Last modification date: 2024-05-01) |
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 (1.52 Å) |
Structure validation
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