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4FRK

Crystal structure of BACE1 in complex with aminooxazoline xanthene 11a

Summary for 4FRK
Entry DOI10.2210/pdb4frk/pdb
Related4FRI 4FRJ
DescriptorBeta-secretase 1, IODIDE ION, (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, ... (5 entities in total)
Functional Keywordsmembrane protein, alzheimer's disease, aspartic protease, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight46916.70
Authors
Whittington, D.A.,Long, A.M. (deposition date: 2012-06-26, release date: 2012-09-12, Last modification date: 2012-12-12)
Primary citationHuang, H.,La, D.S.,Cheng, A.C.,Whittington, D.A.,Patel, V.F.,Chen, K.,Dineen, T.A.,Epstein, O.,Graceffa, R.,Hickman, D.,Kiang, Y.H.,Louie, S.,Luo, Y.,Wahl, R.C.,Wen, P.H.,Wood, S.,Fremeau, R.T.
Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55:9156-9169, 2012
Cited by
PubMed: 22928914
DOI: 10.1021/jm300598e
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.1 Å)
Structure validation

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