6FGY

Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4

Summary for 6FGY

Entry DOI	10.2210/pdb6fgy/pdb
Descriptor	Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide (3 entities in total)
Functional Keywords	oxazine, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44482.87
Authors	Rondeau, J.-M.,Bourgier, E. (deposition date: 2018-01-11, release date: 2018-06-06, Last modification date: 2018-06-20)
Primary citation	Veenstra, S.J.,Rueeger, H.,Voegtle, M.,Lueoend, R.,Holzer, P.,Hurth, K.,Tintelnot-Blomley, M.,Frederiksen, M.,Rondeau, J.M.,Jacobson, L.,Staufenbiel, M.,Neumann, U.,Machauer, R. Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors. Bioorg. Med. Chem. Lett., 28:2195-2200, 2018 Cited by PubMed: 29764741 DOI: 10.1016/j.bmcl.2018.05.003 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.54 Å)

Structure validation