5F00

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

Summary for 5F00

Entry DOI	10.2210/pdb5f00/pdb
Related	5EZX 5EZZ
Descriptor	Beta-secretase 1, SODIUM ION, DIMETHYL SULFOXIDE, ... (5 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	43902.85
Authors	Banner, D.,Benz, J.,Stihle, M.,Kuglstatter, A. (deposition date: 2015-11-27, release date: 2016-02-24, Last modification date: 2017-11-29)
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: 26878596 DOI: 10.1021/acs.jmedchem.5b01875 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation