2o7n

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[[Image:2o7n.gif|left|200px]]
[[Image:2o7n.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2o7n |SIZE=350|CAPTION= <scene name='initialview01'>2o7n</scene>, resolution 1.75&Aring;
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The line below this paragraph, containing "STRUCTURE_2o7n", 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=2O7:7A-[(4-CYANOPHENYL)METHYL]-6-(3,5-DICHLOROPHENYL)-5-OXO-2,3,5,7A-TETRAHYDRO-1H-PYRROLO[1,2-A]PYRROLE-7-CARBONITRILE'>2O7</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=
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or leave the SCENE parameter empty for the default display.
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|GENE= ITGAL, CD11A ([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_2o7n| PDB=2o7n | SCENE= }}
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|RELATEDENTRY=[[2ica|2ICA]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2o7n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2o7n OCA], [http://www.ebi.ac.uk/pdbsum/2o7n PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2o7n RCSB]</span>
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}}
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'''CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile'''
'''CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Sheriff, S.]]
[[Category: Sheriff, S.]]
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[[Category: inhibitor,protein/ligand complex]]
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[[Category: Inhibitor,protein/ligand complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 10:25:21 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:13:52 2008''
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Revision as of 07:25, 4 May 2008

Template:STRUCTURE 2o7n

CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile


Overview

A new class of lymphocyte function-associated antigen-1 (LFA-1) antagonists is described. Elaboration of the 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold resulted in the synthesis of potent inhibitors of the LFA-1/ICAM-1 interaction. Along with the in vitro activity, we present the X-ray crystal structure of the complex of compound 9b, in a novel binding mode to the I-domain of LFA-1.

About this Structure

2O7N is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold., Dodd DS, Sheriff S, Chang CJ, Stetsko DK, Phillips LM, Zhang Y, Launay M, Potin D, Vaccaro W, Poss MA, McKinnon M, Barrish JC, Suchard SJ, Murali Dhar TG, Bioorg Med Chem Lett. 2007 Apr 1;17(7):1908-11. Epub 2007 Jan 24. PMID:17291752 Page seeded by OCA on Sun May 4 10:25:21 2008

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