2ojj: Difference between revisions

Revision as of 11:02, 4 May 2008

Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

OverviewOverview

The Ras/Raf/MEK/ERK signal transduction is a key oncogenic pathway implicated in a variety of human cancers. We have identified a novel series of pyrazolylpyrroles as inhibitors of ERK. Aided by the discovery of two distinct binding modes for the pyrazolylpyrrole scaffold, structure-guided optimization culminated in the discovery of 6p, a potent and selective inhibitor of ERK.

About this StructureAbout this Structure

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

ReferenceReference

Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors., Aronov AM, Baker C, Bemis GW, Cao J, Chen G, Ford PJ, Germann UA, Green J, Hale MR, Jacobs M, Janetka JW, Maltais F, Martinez-Botella G, Namchuk MN, Straub J, Tang Q, Xie X, J Med Chem. 2007 Mar 22;50(6):1280-7. Epub 2007 Feb 15. PMID:17300186 Page seeded by OCA on Sun May 4 11:02:41 2008

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

OCA

@@ Line 1: / Line 1: @@
 [[Image:2ojj.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2ojj |SIZE=350|CAPTION= <scene name='initialview01'>2ojj</scene>, resolution 2.400&Aring;
+The line below this paragraph, containing "STRUCTURE_2ojj", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=82A:(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE'>82A</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/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= MAPK1, ERK2, PRKM1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_2ojj|  PDB=2ojj  |  SCENE=  }}
-|RELATEDENTRY=[[2ojg|2OJG]], [[2oji|2OJI]], [[2ok1|2OK1]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ojj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ojj OCA], [http://www.ebi.ac.uk/pdbsum/2ojj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2ojj RCSB]</span>
-}}
 '''Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide'''
@@ Line 28: / Line 25: @@
 [[Category: Jacobs, M D.]]
 [[Category: Xie, X.]]
-[[Category: kinase inhibitor]]
+[[Category: Kinase inhibitor]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 11:02:41 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:18:41 2008''