1x7a: Difference between revisions

Revision as of 14:39, 3 May 2008

Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

OverviewOverview

Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa inhibitor SN-429 provided several new compounds, which are 5-10nM inhibitors of factor IXa. An X-ray crystal structure of one example complexed to factor IXa shows that these compounds adopt a similar binding mode to that previously observed with pyrazole inhibitors in the factor Xa active site both with regard to how the inhibitor binds and the position of Tyr99.

About this StructureAbout this Structure

1X7A is a Protein complex structure of sequences from Sus scrofa. Full crystallographic information is available from OCA.

ReferenceReference

SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa., Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK, Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:15454208 Page seeded by OCA on Sat May 3 14:39:29 2008

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

OCA

@@ Line 1: / Line 1: @@
 [[Image:1x7a.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 1x7a |SIZE=350|CAPTION= <scene name='initialview01'>1x7a</scene>, resolution 2.90&Aring;
+The line below this paragraph, containing "STRUCTURE_1x7a", 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=187:1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE'>187</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/Coagulation_factor_IXa Coagulation factor IXa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.22 3.4.21.22] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_1x7a|  PDB=1x7a  |  SCENE=  }}
-|RELATEDENTRY=[[1pfx|1PFX]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1x7a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1x7a OCA], [http://www.ebi.ac.uk/pdbsum/1x7a PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1x7a RCSB]</span>
-}}
 '''Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide'''
@@ Line 36: / Line 33: @@
 [[Category: Wang, J.]]
 [[Category: Wang, S.]]
-[[Category: inhibition]]
+[[Category: Inhibition]]
-[[Category: x-ray structure]]
+[[Category: X-ray structure]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 14:39:29 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:45:39 2008''