2fpy

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[[Image:2fpy.gif|left|200px]]
[[Image:2fpy.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2fpy |SIZE=350|CAPTION= <scene name='initialview01'>2fpy</scene>, resolution 2.000&Aring;
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The line below this paragraph, containing "STRUCTURE_2fpy", 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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=ILF:3-({[3,5-DIFLUORO-3&#39;-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC+ACID'>ILF</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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/Dihydroorotate_oxidase Dihydroorotate oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.3.1 1.3.3.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= DHODH ([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_2fpy| PDB=2fpy | SCENE= }}
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|RELATEDENTRY=[[2fpt|2FPT]], [[2fpv|2FPV]], [[2bxv|2BXV]], [[2fqi|2FQI]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fpy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fpy OCA], [http://www.ebi.ac.uk/pdbsum/2fpy PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2fpy RCSB]</span>
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}}
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'''Dual binding mode of a novel series of DHODH inhibitors'''
'''Dual binding mode of a novel series of DHODH inhibitors'''
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[[Category: Baumgartner, R.]]
[[Category: Baumgartner, R.]]
[[Category: Leban, J.]]
[[Category: Leban, J.]]
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[[Category: protein inhibitor complex]]
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[[Category: Protein inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:11:11 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:06:10 2008''
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Revision as of 01:11, 4 May 2008

Image:2fpy.gif

Template:STRUCTURE 2fpy

Dual binding mode of a novel series of DHODH inhibitors


Overview

Human dihydroorotate dehydrogenase (DHODH) represents an important target for the treatment of hyperproliferative and inflammatory diseases. In the cell DHODH catalyzes the rate-limiting step of the de novo pyrimidine biosynthesis. DHODH inhibition results in beneficial immunosuppressant and antiproliferative effects in diseases such as rheumatoid arthritis. Here, we present high-resolution X-ray structures of human DHODH in complex with a novel class of low molecular weight compounds that inhibit the enzyme in the nanomolar range. Some compounds showed an interesting dual binding mode within the same cocrystal strongly depending on the nature of chemical substitution. Measured in vitro activity data correlated with the prevailing mode of binding and explained the observed structure-activity relationship. Additionally, the X-ray data confirmed the competitive nature of the inhibitors toward the putative ubiquinone binding site and will guide structure-based design and synthesis of molecules with higher activity.

About this Structure

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

Reference

Dual binding mode of a novel series of DHODH inhibitors., Baumgartner R, Walloschek M, Kralik M, Gotschlich A, Tasler S, Mies J, Leban J, J Med Chem. 2006 Feb 23;49(4):1239-47. PMID:16480261 Page seeded by OCA on Sun May 4 04:11:11 2008

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