1rw8

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[[Image:1rw8.gif|left|200px]]
[[Image:1rw8.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1rw8 |SIZE=350|CAPTION= <scene name='initialview01'>1rw8</scene>, resolution 2.40&Aring;
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The line below this paragraph, containing "STRUCTURE_1rw8", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=580:3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE'>580</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= Tru ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_1rw8| PDB=1rw8 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1rw8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rw8 OCA], [http://www.ebi.ac.uk/pdbsum/1rw8 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1rw8 RCSB]</span>
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}}
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'''Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor'''
'''Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor'''
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[[Category: Sawyer, J S.]]
[[Category: Sawyer, J S.]]
[[Category: Zhang, F.]]
[[Category: Zhang, F.]]
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[[Category: protein kinase]]
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[[Category: Protein kinase]]
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[[Category: tgf-beta receptor i]]
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[[Category: Tgf-beta receptor i]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 07:58:49 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:33:45 2008''
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Revision as of 04:58, 3 May 2008

Image:1rw8.gif

Template:STRUCTURE 1rw8

Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor


Overview

We have expanded our previously reported series of pyrazole-based inhibitors of the TGF-beta type I receptor kinase domain (TbetaR-I) to now include new 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole analogues. Limited examination of the SAR of this new series in both enzyme and cell based in vitro assays has revealed selectivity differences with respect to p38 MAP kinase (p38 MAPK) depending on the nature of the 'warhead' group on the dihydropyrrolopyrazole ring. As with our original pyrazole series, phenyl substituents tended to show greater selectivity against p38 MAPK than those comprised of the quinoline-4-yl moiety. We have also achieved co-crystallization and X-ray analysis of compounds 3 and 15, two potent examples of this new series, with the TbetaR-I receptor kinase domain.

About this Structure

1RW8 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain., Sawyer JS, Beight DW, Britt KS, Anderson BD, Campbell RM, Goodson T Jr, Herron DK, Li HY, McMillen WT, Mort N, Parsons S, Smith EC, Wagner JR, Yan L, Zhang F, Yingling JM, Bioorg Med Chem Lett. 2004 Jul 5;14(13):3581-4. PMID:15177479 Page seeded by OCA on Sat May 3 07:58:49 2008

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