2b8v: Difference between revisions

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Revision as of 16:58, 20 March 2008

File:2b8v.gif

, resolution 1.80Å

Ligands:

Gene:

BACE1, BACE (Homo sapiens)

Activity:

Memapsin 2, with EC number 3.4.23.46

Coordinates:

save as pdb, mmCIF, xml

Crystal structure of human Beta-secretase complexed with L-L000430,469

OverviewOverview

We have synthesized and evaluated a series of conformationally biased P3 amide replacements based on an isophthalamide lead structure. The studies resulted in the identification of the beta-secretase inhibitor 7m which has an in vitro IC(50)=35 nM. The synthesis and biological activities of these compounds are described.

About this StructureAbout this Structure

2B8V is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Conformationally biased P3 amide replacements of beta-secretase inhibitors., Stachel SJ, Coburn CA, Steele TG, Crouthamel MC, Pietrak BL, Lai MT, Holloway MK, Munshi SK, Graham SL, Vacca JP, Bioorg Med Chem Lett. 2006 Feb;16(3):641-4. Epub 2005 Nov 2. PMID:16263281

Page seeded by OCA on Thu Mar 20 15:58:53 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-[[Image:2b8v.gif|left|200px]]<br /><applet load="2b8v" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:2b8v.gif|left|200px]]
-caption="2b8v, resolution 1.80&Aring;" />
-'''Crystal structure of human Beta-secretase complexed with L-L000430,469'''<br />
+ {{Structure
+|PDB= 2b8v |SIZE=350|CAPTION= <scene name='initialview01'>2b8v</scene>, resolution 1.80&Aring;
+|SITE=
+|LIGAND= <scene name='pdbligand=3BN:3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE'>3BN</scene>
+|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]
+|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+}}
+'''Crystal structure of human Beta-secretase complexed with L-L000430,469'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-B8V 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=3BN:'>3BN</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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B8V OCA].
+B8V 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=2B8V OCA].
 ==Reference==
-Conformationally biased P3 amide replacements of beta-secretase inhibitors., Stachel SJ, Coburn CA, Steele TG, Crouthamel MC, Pietrak BL, Lai MT, Holloway MK, Munshi SK, Graham SL, Vacca JP, Bioorg Med Chem Lett. 2006 Feb;16(3):641-4. Epub 2005 Nov 2. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16263281 16263281]
+Conformationally biased P3 amide replacements of beta-secretase inhibitors., Stachel SJ, Coburn CA, Steele TG, Crouthamel MC, Pietrak BL, Lai MT, Holloway MK, Munshi SK, Graham SL, Vacca JP, Bioorg Med Chem Lett. 2006 Feb;16(3):641-4. Epub 2005 Nov 2. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16263281 16263281]
 [[Category: Homo sapiens]]
 [[Category: Memapsin 2]]
@@ Line 28: / Line 37: @@
 [[Category: bace]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:35:19 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:58:53 2008''