4LC7

Aminooxazoline inhibitor of BACE-1

Summary for 4LC7

Entry DOI	10.2210/pdb4lc7/pdb
Related	4L7G 4L7H 4L7J
Descriptor	Beta-Secretase-1, NICKEL (II) ION, (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, ... (4 entities in total)
Functional Keywords	aspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/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	45831.62
Authors	Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.E.,Wu, C.,Wang, W.,Smith, D.,Vigers, G.P.A.,Dutcher, D.,Hunt, K.W.,Siu, M. (deposition date: 2013-06-21, release date: 2013-09-18, Last modification date: 2023-09-20)
Primary citation	Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.,Yu, C.,Wang, W.,Smith, D.,Vigers, G.,Dutcher, D.,Hunt, K.W.,Siu, M. Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1) Tetrahedron Lett., 2013 Cited by DOI: 10.1016/j.tetlet.2013.07.136 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation