1yrs

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[[Image:1yrs.jpg|left|200px]]<br /><applet load="1yrs" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1yrs.jpg|left|200px]]
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caption="1yrs, resolution 2.5&Aring;" />
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'''Crystal structure of KSP in complex with inhibitor 1'''<br />
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{{Structure
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|PDB= 1yrs |SIZE=350|CAPTION= <scene name='initialview01'>1yrs</scene>, resolution 2.5&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ADP:ADENOSINE-5'-DIPHOSPHATE'>ADP</scene> and <scene name='pdbligand=L47:3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL'>L47</scene>
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|ACTIVITY=
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|GENE= KIF11, EG5, KNSL1 ([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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'''Crystal structure of KSP in complex with inhibitor 1'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1YRS 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=L47:'>L47</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1YRS OCA].
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1YRS is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1YRS OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15808464 15808464]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/15808464 15808464]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: cell cycle]]
[[Category: cell cycle]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:08:31 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:26:40 2008''

Revision as of 13:26, 20 March 2008

Image:1yrs.jpg


PDB ID 1yrs

Drag the structure with the mouse to rotate
, resolution 2.5Å
Ligands: , and
Gene: KIF11, EG5, KNSL1 (Homo sapiens)
Coordinates: save as pdb, mmCIF, xml



Crystal structure of KSP in complex with inhibitor 1


Overview

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.

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

Page seeded by OCA on Thu Mar 20 15:26:40 2008

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