1eb2: Difference between revisions

Revision as of 14:53, 2 May 2008

TRYPSIN INHIBITOR COMPLEX (BPO)

OverviewOverview

In silico screening of combinatorial libraries prior to synthesis promises to be a valuable aid to lead discovery. PRO_SELECT, a tool for the virtual screening of libraries for fit to a protein active site, has been used to find novel leads against the serine protease factor Xa. A small seed template was built upon using three iterations of library design, virtual screening, synthesis, and biological testing. Highly potent molecules with selectivity for factor Xa over other serine proteases were rapidly obtained.

About this StructureAbout this Structure

1EB2 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

ReferenceReference

PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors., Liebeschuetz JW, Jones SD, Morgan PJ, Murray CW, Rimmer AD, Roscoe JM, Waszkowycz B, Welsh PM, Wylie WA, Young SC, Martin H, Mahler J, Brady L, Wilkinson K, J Med Chem. 2002 Mar 14;45(6):1221-32. PMID:11881991 Page seeded by OCA on Fri May 2 14:53:25 2008

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

OCA

@@ Line 1: / Line 1: @@
 [[Image:1eb2.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 1eb2 |SIZE=350|CAPTION= <scene name='initialview01'>1eb2</scene>, resolution 2.0&Aring;
+The line below this paragraph, containing "STRUCTURE_1eb2", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=CA:Bpo+Binding+Site+For+Chain+A'>CA</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=BPO:3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE'>BPO</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_1eb2|  PDB=1eb2  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1eb2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1eb2 OCA], [http://www.ebi.ac.uk/pdbsum/1eb2 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1eb2 RCSB]</span>
-}}
 '''TRYPSIN INHIBITOR COMPLEX (BPO)'''
@@ Line 30: / Line 27: @@
 [[Category: Wilkinson, K W.]]
 [[Category: Young, S C.]]
-[[Category: hydrolase]]
+[[Category: Hydrolase]]
-[[Category: inhibitor]]
+[[Category: Inhibitor]]
-[[Category: serine protease]]
+[[Category: Serine protease]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 14:53:25 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 19:59:05 2008''