1yrs: Difference between revisions

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[[Image:1yrs.jpg|left|200px]]
{{Seed}}
[[Image:1yrs.png|left|200px]]


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{{STRUCTURE_1yrs|  PDB=1yrs  |  SCENE=  }}  
{{STRUCTURE_1yrs|  PDB=1yrs  |  SCENE=  }}  


'''Crystal structure of KSP in complex with inhibitor 1'''
===Crystal structure of KSP in complex with inhibitor 1===




==Overview==
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Optimization of high-throughput screening (HTS) hits resulted in the discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of KSP. Dihydropyrazole 15 is a potent, cell-active KSP inhibitor that induces apoptosis and generates aberrant mitotic spindles in human ovarian carcinoma cells at low nanomolar concentrations. X-ray crystallographic evidence is presented which demonstrates that these inhibitors bind in an allosteric pocket of KSP distant from the nucleotide and microtubule binding sites.
The line below this paragraph, {{ABSTRACT_PUBMED_15808464}}, adds the Publication Abstract to the page
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{{ABSTRACT_PUBMED_15808464}}


==About this Structure==
==About this Structure==
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[[Category: Yan, Y.]]
[[Category: Yan, Y.]]
[[Category: Cell cycle]]
[[Category: Cell cycle]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 16:41:57 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 12:24:39 2008''

Revision as of 09:24, 28 July 2008

File:1yrs.png


Drag the structure with the mouse to rotate
1yrs, resolution 2.50Å (default scene)
Ligands: ADP, L47, MG
Gene: KIF11, EG5, KNSL1 (Homo sapiens)
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml



Crystal structure of KSP in complex with inhibitor 1

Template:ABSTRACT PUBMED 15808464

About this Structure

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

Reference

Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP., Cox CD, Breslin MJ, Mariano BJ, Coleman PJ, Buser CA, Walsh ES, Hamilton K, Huber HE, Kohl NE, Torrent M, Yan Y, Kuo LC, Hartman GD, Bioorg Med Chem Lett. 2005 Apr 15;15(8):2041-5. PMID:15808464

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