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2q2y

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[[Image:2q2y.jpg|left|200px]]
[[Image:2q2y.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2q2y |SIZE=350|CAPTION= <scene name='initialview01'>2q2y</scene>, resolution 2.50&Aring;
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The line below this paragraph, containing "STRUCTURE_2q2y", 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=ADP:ADENOSINE-5&#39;-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MKR:1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE'>MKR</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= KIF11, EG5, KNSL1, TRIP5 ([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_2q2y| PDB=2q2y | SCENE= }}
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|RELATEDENTRY=[[2q2z|2Q2Z]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2q2y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q2y OCA], [http://www.ebi.ac.uk/pdbsum/2q2y PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2q2y RCSB]</span>
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}}
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'''Crystal Structure of KSP in complex with Inhibitor 1'''
'''Crystal Structure of KSP in complex with Inhibitor 1'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Yan, Y.]]
[[Category: Yan, Y.]]
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[[Category: cell cycle]]
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[[Category: Cell cycle]]
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[[Category: ksp]]
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[[Category: Ksp]]
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[[Category: ksp-inhibitor complex]]
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[[Category: Ksp-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 14:13:43 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:43:52 2008''
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Revision as of 11:13, 4 May 2008

Image:2q2y.jpg

Template:STRUCTURE 2q2y

Crystal Structure of KSP in complex with Inhibitor 1


Overview

Inspired by previous efforts in the pyrazolobenzoxazine class of KSP inhibitors, the design and synthesis of 1,4-diaryl-4,5-dihydropyrazole inhibitors of KSP are described. Crystallographic evidence of binding mode and in vivo potency data is also highlighted.

About this Structure

2Q2Y is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP., Roecker AJ, Coleman PJ, Mercer SP, Schreier JD, Buser CA, Walsh ES, Hamilton K, Lobell RB, Tao W, Diehl RE, South VJ, Davide JP, Kohl NE, Yan Y, Kuo LC, Li C, Fernandez-Metzler C, Mahan EA, Prueksaritanont T, Hartman GD, Bioorg Med Chem Lett. 2007 Oct 15;17(20):5677-82. Epub 2007 Aug 21. PMID:17766111 Page seeded by OCA on Sun May 4 14:13:43 2008

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