2o7n: Difference between revisions
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|PDB= 2o7n |SIZE=350|CAPTION= <scene name='initialview01'>2o7n</scene>, resolution 1.75Å | |PDB= 2o7n |SIZE=350|CAPTION= <scene name='initialview01'>2o7n</scene>, resolution 1.75Å | ||
|SITE= | |SITE= | ||
|LIGAND= <scene name='pdbligand=2O7:7A-[(4- | |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> | ||
|ACTIVITY= | |ACTIVITY= | ||
|GENE= ITGAL, CD11A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= ITGAL, CD11A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
|DOMAIN= | |||
|RELATEDENTRY=[[2ica|2ICA]] | |||
|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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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Sheriff, S.]] | [[Category: Sheriff, S.]] | ||
[[Category: inhibitor,protein/ligand complex]] | |||
[[Category: inhibitor | |||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:13:52 2008'' | ||
Revision as of 01:13, 31 March 2008
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| 2o7n, resolution 1.75Å | |||||||||||||
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| Ligands: | 2O7 | ||||||||||||
| Gene: | ITGAL, CD11A (Homo sapiens) | ||||||||||||
| Related: | 2ICA
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
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
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