4L7G
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1)
Summary for 4L7G
Entry DOI | 10.2210/pdb4l7g/pdb |
Related | 4L7H 4L7J 4LC7 |
Descriptor | Beta-secretase 1, (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, DIMETHYL SULFOXIDE, ... (4 entities in total) |
Functional Keywords | aspartic 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 | 45977.66 |
Authors | Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.,Wang, W.,Yu, C.,Wu, P.,Smith, D.,Vigers, G.,Dutcher, D.,Geck Do, M.K.,Hunt, K.W.,Siu, M. (deposition date: 2013-06-13, release date: 2013-09-18, Last modification date: 2024-10-16) |
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.2013.07.136PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.38 Å) |
Structure validation
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