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4RCF

Crystal structure of BACE1 in complex with 2-aminooxazoline 4-fluoroxanthene inhibitor 49

Summary for 4RCF
Entry DOI10.2210/pdb4rcf/pdb
Related4RCD 4RCE
DescriptorBeta-secretase 1, IODIDE ION, (4S)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, ... (5 entities in total)
Functional Keywordsaspartic protease, alzheimer's disease, app, amyloid precursor protein, brain, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight46742.68
Authors
Whittington, D.A.,Long, A.M. (deposition date: 2014-09-15, release date: 2014-12-24, Last modification date: 2017-11-22)
Primary citationEpstein, O.,Bryan, M.C.,Cheng, A.C.,Derakhchan, K.,Dineen, T.A.,Hickman, D.,Hua, Z.,Human, J.B.,Kreiman, C.,Marx, I.E.,Weiss, M.M.,Wahl, R.C.,Wen, P.H.,Whittington, D.A.,Wood, S.,Zheng, X.M.,Fremeau, R.T.,White, R.D.,Patel, V.F.
Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.
J.Med.Chem., 57:9796-9810, 2014
Cited by
PubMed: 25389560
DOI: 10.1021/jm501266w
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.78 Å)
Structure validation

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