2v00

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
[[Image:2v00.jpg|left|200px]]
[[Image:2v00.jpg|left|200px]]
-
{{Structure
+
<!--
-
|PDB= 2v00 |SIZE=350|CAPTION= <scene name='initialview01'>2v00</scene>, resolution 1.55&Aring;
+
The line below this paragraph, containing "STRUCTURE_2v00", creates the "Structure Box" on the page.
-
|SITE= <scene name='pdbsite=AC1:Gol+Binding+Site+For+Chain+A'>AC1</scene>, <scene name='pdbsite=AC2:Gol+Binding+Site+For+Chain+A'>AC2</scene>, <scene name='pdbsite=AC3:Gol+Binding+Site+For+Chain+A'>AC3</scene>, <scene name='pdbsite=AC4:Act+Binding+Site+For+Chain+A'>AC4</scene>, <scene name='pdbsite=AC5:Act+Binding+Site+For+Chain+A'>AC5</scene> and <scene name='pdbsite=AC6:V15+Binding+Site+For+Chain+A'>AC6</scene>
+
You may change the PDB parameter (which sets the PDB file loaded into the applet)
-
|LIGAND= <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=V15:2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE'>V15</scene>
+
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </span>
+
or leave the SCENE parameter empty for the default display.
-
|GENE=
+
-->
-
|DOMAIN=
+
{{STRUCTURE_2v00| PDB=2v00 | SCENE= }}
-
|RELATEDENTRY=[[1e5o|1E5O]], [[1e80|1E80]], [[1e81|1E81]], [[1e82|1E82]], [[1eed|1EED]], [[1ent|1ENT]], [[1gkt|1GKT]], [[1gvt|1GVT]], [[1gvu|1GVU]], [[1gvv|1GVV]], [[1gvw|1GVW]], [[1gvx|1GVX]], [[1od1|1OD1]], [[1oew|1OEW]], [[1oex|1OEX]]
+
-
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2v00 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2v00 OCA], [http://www.ebi.ac.uk/pdbsum/2v00 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2v00 RCSB]</span>
+
-
}}
+
'''X-RAY CRYSTAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH COMPOUND 1'''
'''X-RAY CRYSTAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH COMPOUND 1'''
Line 33: Line 30:
[[Category: Geschwindner, S.]]
[[Category: Geschwindner, S.]]
[[Category: Olsson, L L.]]
[[Category: Olsson, L L.]]
-
[[Category: alzheimer's disease]]
+
[[Category: Alzheimer's disease]]
-
[[Category: aspartyl protease]]
+
[[Category: Aspartyl protease]]
-
[[Category: b- secretase]]
+
[[Category: B- secretase]]
-
[[Category: bace]]
+
[[Category: Bace]]
-
[[Category: endothiapepsin]]
+
[[Category: Endothiapepsin]]
-
[[Category: fragment hit]]
+
[[Category: Fragment hit]]
-
[[Category: fragment-based lead generation]]
+
[[Category: Fragment-based lead generation]]
-
[[Category: hydrolase]]
+
[[Category: Hydrolase]]
-
[[Category: isocytosine]]
+
[[Category: Isocytosine]]
-
[[Category: protease]]
+
[[Category: Protease]]
-
[[Category: surrogate protein]]
+
[[Category: Surrogate protein]]
-
[[Category: zymogen]]
+
[[Category: Zymogen]]
-
 
+
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 17:55:47 2008''
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:06:48 2008''
+

Revision as of 14:55, 4 May 2008

Image:2v00.jpg

Template:STRUCTURE 2v00

X-RAY CRYSTAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH COMPOUND 1


Overview

Fragment-based lead generation was applied to find novel small-molecule inhibitors of beta-secretase (BACE-1), a key target for the treatment of Alzheimer's disease. Fragment hits coming from a 1D NMR screen were characterized by BIAcore, and the most promising compounds were soaked into protein crystals to help the rational design of more potent hit analogues. Problems arising due to our inability to grow BACE-1 crystals at the biologically relevant pH at which the screen was run were overcome by using endothiapepsin as a surrogate aspartyl protease. Among others, we identified 6-substituted isocytosines as a novel warhead against BACE-1, and the accompanying paper in this journal describes how these were optimized to a lead series of nanomolar inhibitors.1.

About this Structure

2V00 is a Single protein structure of sequence from Cryphonectria parasitica. Full crystallographic information is available from OCA.

Reference

Discovery of a novel warhead against beta-secretase through fragment-based lead generation., Geschwindner S, Olsson LL, Albert JS, Deinum J, Edwards PD, de Beer T, Folmer RH, J Med Chem. 2007 Nov 29;50(24):5903-11. Epub 2007 Nov 7. PMID:17985861 Page seeded by OCA on Sun May 4 17:55:47 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2v00"
Personal tools