1w51

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[[Image:1w51.gif|left|200px]]<br /><applet load="1w51" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1w51.gif|left|200px]]
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caption="1w51, resolution 2.55&Aring;" />
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'''BACE (BETA SECRETASE) IN COMPLEX WITH A NANOMOLAR NON-PEPTIDIC INHIBITOR'''<br />
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{{Structure
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|PDB= 1w51 |SIZE=350|CAPTION= <scene name='initialview01'>1w51</scene>, resolution 2.55&Aring;
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|SITE= <scene name='pdbsite=AC1:L01+Binding+Site+For+Chain+A'>AC1</scene>
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|LIGAND= <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene> and <scene name='pdbligand=L01:3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE'>L01</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=
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}}
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'''BACE (BETA SECRETASE) IN COMPLEX WITH A NANOMOLAR NON-PEPTIDIC INHIBITOR'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1W51 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=IOD:'>IOD</scene> and <scene name='pdbligand=L01:'>L01</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. 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 Site: <scene name='pdbsite=AC1:L01+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W51 OCA].
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1W51 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=1W51 OCA].
==Reference==
==Reference==
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Apo and inhibitor complex structures of BACE (beta-secretase)., Patel S, Vuillard L, Cleasby A, Murray CW, Yon J, J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15451669 15451669]
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Apo and inhibitor complex structures of BACE (beta-secretase)., Patel S, Vuillard L, Cleasby A, Murray CW, Yon J, J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15451669 15451669]
[[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 Thu Feb 21 15:40:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:52:15 2008''

Revision as of 12:52, 20 March 2008

Image:1w51.gif


PDB ID 1w51

Drag the structure with the mouse to rotate
, resolution 2.55Å
Sites:
Ligands: and
Activity: Memapsin 2, with EC number 3.4.23.46
Coordinates: save as pdb, mmCIF, xml



BACE (BETA SECRETASE) IN COMPLEX WITH A NANOMOLAR NON-PEPTIDIC INHIBITOR


Overview

Human BACE, also known as beta-secretase, shows promise as a potential therapeutic target for Alzheimer's disease. We determined the apo structure of BACE to 1.75 A, and a structure of a hydroxyethylamine inhibitor complex derived by soaking. These show significant active-site movements compared to previously described BACE structures. Additionally, the structures reveal two pockets that could be targeted by structure-based drug design.

About this Structure

1W51 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Apo and inhibitor complex structures of BACE (beta-secretase)., Patel S, Vuillard L, Cleasby A, Murray CW, Yon J, J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:15451669

Page seeded by OCA on Thu Mar 20 14:52:15 2008

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