2fl6
From Proteopedia
(New page: 200px<br /> <applet load="2fl6" size="450" color="white" frame="true" align="right" spinBox="true" caption="2fl6, resolution 2.5Å" /> '''crystal structure of...) |
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| - | [[Image:2fl6.gif|left|200px]]<br /> | + | [[Image:2fl6.gif|left|200px]]<br /><applet load="2fl6" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2fl6" size=" | + | |
caption="2fl6, resolution 2.5Å" /> | caption="2fl6, resolution 2.5Å" /> | ||
'''crystal structure of KSP in complex with inhibitor 6'''<br /> | '''crystal structure of KSP in complex with inhibitor 6'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The evolution of 2,4-diaryl-2,5-dihydropyrroles as inhibitors of KSP is | + | The evolution of 2,4-diaryl-2,5-dihydropyrroles as inhibitors of KSP is described. Introduction of basic amide and urea moieties to the dihydropyrrole nucleus enhanced potency and aqueous solubility, simultaneously, and provided compounds that caused mitotic arrest of A2780 human ovarian carcinoma cells with EC(50)s<10nM. Ancillary hERG activity was evaluated for this series of inhibitors. |
==About this Structure== | ==About this Structure== | ||
| - | 2FL6 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with MG, ADP and N5T as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | + | 2FL6 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=MG:'>MG</scene>, <scene name='pdbligand=ADP:'>ADP</scene> and <scene name='pdbligand=N5T:'>N5T</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FL6 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: ksp-inhibitor complex]] | [[Category: ksp-inhibitor complex]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:22:35 2008'' |
Revision as of 15:22, 21 February 2008
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crystal structure of KSP in complex with inhibitor 6
Overview
The evolution of 2,4-diaryl-2,5-dihydropyrroles as inhibitors of KSP is described. Introduction of basic amide and urea moieties to the dihydropyrrole nucleus enhanced potency and aqueous solubility, simultaneously, and provided compounds that caused mitotic arrest of A2780 human ovarian carcinoma cells with EC(50)s<10nM. Ancillary hERG activity was evaluated for this series of inhibitors.
About this Structure
2FL6 is a Single protein structure of sequence from Homo sapiens with , and as ligands. Full crystallographic information is available from OCA.
Reference
Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP., Fraley ME, Garbaccio RM, Arrington KL, Hoffman WF, Tasber ES, Coleman PJ, Buser CA, Walsh ES, Hamilton K, Fernandes C, Schaber MD, Lobell RB, Tao W, South VJ, Yan Y, Kuo LC, Prueksaritanont T, Shu C, Torrent M, Heimbrook DC, Kohl NE, Huber HE, Hartman GD, Bioorg Med Chem Lett. 2006 Apr 1;16(7):1775-9. Epub 2006 Jan 24. PMID:16439123
Page seeded by OCA on Thu Feb 21 17:22:35 2008
Categories: Homo sapiens | Single protein | Yan, Y. | ADP | MG | N5T | Ksp | Ksp-inhibitor complex
