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3UQX

Crystal structure of BACE1 with its inhibitor

Summary for 3UQX
Entry DOI10.2210/pdb3uqx/pdb
Related3UQP 3UQR 3UQU 3UQW 4DV9 4DVF
DescriptorBeta-secretase 1, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, SULFATE ION, ... (6 entities in total)
Functional Keywordshydrolase, beta-secretase, bace1, memapsin 2, 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 weight49655.14
Authors
Chen, T.T.,Chen, W.Y.,Xu, Y.C. (deposition date: 2011-11-21, release date: 2012-11-21, Last modification date: 2024-10-16)
Primary citationXu, Y.C.,Chen, W.Y.,Chen, T.T.
Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
to be published,
Experimental method
X-RAY DIFFRACTION (1.7 Å)
Structure validation

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