View source for 3bug

[[Image:3bug.jpg|left|200px]]

<!--
The line below this paragraph, containing "STRUCTURE_3bug", creates the "Structure Box" on the page.
You may change the PDB parameter (which sets the PDB file loaded into the applet) 
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
or leave the SCENE parameter empty for the default display.
-->
{{STRUCTURE_3bug|  PDB=3bug  |  SCENE=  }} 

'''BACE-1 complexed with compound 3'''


==Overview==
Fragment screening revealed that tyramine binds to the active site of the Alzheimer's disease drug target BACE-1. Hit expansion by selection of compounds from the Roche compound library identified tyramine derivatives with improved binding affinities as monitored by surface plasmon resonance. X-ray structures show that the amine of the tyramine fragment hydrogen-bonds to the catalytic water molecule. Structure-guided ligand design led to the synthesis of further low molecular weight compounds that are starting points for chemical leads.

==About this Structure==
3BUG is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BUG OCA]. 

==Reference==
Tyramine fragment binding to BACE-1., Kuglstatter A, Stahl M, Peters JU, Huber W, Stihle M, Schlatter D, Benz J, Ruf A, Roth D, Enderle T, Hennig M, Bioorg Med Chem Lett. 2008 Feb 15;18(4):1304-7. Epub 2008 Jan 11. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18226904 18226904]
[[Category: Homo sapiens]]
[[Category: Memapsin 2]]
[[Category: Single protein]]
[[Category: Hennig, M.]]
[[Category: Kuglstatter, A.]]
[[Category: Alternative splicing]]
[[Category: Alzheimer's disease]]
[[Category: Aspartic protease]]
[[Category: Aspartyl protease]]
[[Category: Beta-secretase]]
[[Category: Fragment screen]]
[[Category: Glycoprotein]]
[[Category: Hydrolase]]
[[Category: Memapsin 2]]
[[Category: Membrane]]
[[Category: Transmembrane]]
[[Category: Zymogen]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 21:06:57 2008''