2qk5

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(New page: 200px<br /><applet load="2qk5" size="350" color="white" frame="true" align="right" spinBox="true" caption="2qk5, resolution 2.200&Aring;" /> '''Structure of BACE1 ...)
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[[Image:2qk5.jpg|left|200px]]<br /><applet load="2qk5" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2qk5.jpg|left|200px]]
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caption="2qk5, resolution 2.200&Aring;" />
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'''Structure of BACE1 bound to SCH626485'''<br />
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{{Structure
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|PDB= 2qk5 |SIZE=350|CAPTION= <scene name='initialview01'>2qk5</scene>, resolution 2.200&Aring;
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|SITE= <scene name='pdbsite=AC1:Cs5+Binding+Site+For+Residue+A+1'>AC1</scene> and <scene name='pdbsite=AC2:Cs5+Binding+Site+For+Residue+B+1'>AC2</scene>
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|LIGAND= <scene name='pdbligand=CS5:'>CS5</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46]
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|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Structure of BACE1 bound to SCH626485'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2QK5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CS5:'>CS5</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] Known structural/functional Sites: <scene name='pdbsite=AC1:Cs5+Binding+Site+For+Residue+A+1'>AC1</scene> and <scene name='pdbsite=AC2:Cs5+Binding+Site+For+Residue+B+1'>AC2</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QK5 OCA].
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2QK5 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=2QK5 OCA].
==Reference==
==Reference==
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Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18023580 18023580]
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Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18023580 18023580]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Memapsin 2]]
[[Category: Memapsin 2]]
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[[Category: zymogen]]
[[Category: zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Mar 14 09:34:37 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:26:42 2008''

Revision as of 16:26, 20 March 2008

Image:2qk5.jpg


PDB ID 2qk5

Drag the structure with the mouse to rotate
, resolution 2.200Å
Sites: and
Ligands:
Gene: BACE1, BACE (Homo sapiens)
Activity: Memapsin 2, with EC number 3.4.23.46
Coordinates: save as pdb, mmCIF, xml



Structure of BACE1 bound to SCH626485


Overview

Based on lead compound 1 identified from the patent literature, we developed novel patentable BACE-1 inhibitors by introducing a cyclic amine scaffold. Extensive SAR studies on both pyrrolidines and piperidines ultimately led to inhibitor 2f, one of the most potent inhibitors synthesized to date.

About this Structure

2QK5 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:18023580

Page seeded by OCA on Thu Mar 20 18:26:42 2008

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