2uym

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[[Image:2uym.gif|left|200px]]<br /><applet load="2uym" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2uym.gif|left|200px]]
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caption="2uym, resolution 2.11&Aring;" />
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'''CRYSTAL STRUCTURE OF KSP IN COMPLEX WITH ADP AND THIOPHENE CONTAINING INHIBITOR 37'''<br />
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{{Structure
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|PDB= 2uym |SIZE=350|CAPTION= <scene name='initialview01'>2uym</scene>, resolution 2.11&Aring;
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|SITE= <scene name='pdbsite=AC1:K03+Binding+Site+For+Chain+B'>AC1</scene>
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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=K03:N,N-DIETHYL-5,5-DIMETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE'>K03</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''CRYSTAL STRUCTURE OF KSP IN COMPLEX WITH ADP AND THIOPHENE CONTAINING INHIBITOR 37'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2UYM 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=K03:'>K03</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Site: <scene name='pdbsite=AC1:K03+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2UYM OCA].
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2UYM 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=2UYM OCA].
==Reference==
==Reference==
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Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors., Pinkerton AB, Lee TT, Hoffman TZ, Wang Y, Kahraman M, Cook TG, Severance D, Gahman TC, Noble SA, Shiau AK, Davis RL, Bioorg Med Chem Lett. 2007 Jul 1;17(13):3562-9. Epub 2007 Apr 29. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17498954 17498954]
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Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors., Pinkerton AB, Lee TT, Hoffman TZ, Wang Y, Kahraman M, Cook TG, Severance D, Gahman TC, Noble SA, Shiau AK, Davis RL, Bioorg Med Chem Lett. 2007 Jul 1;17(13):3562-9. Epub 2007 Apr 29. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17498954 17498954]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: thiophene]]
[[Category: thiophene]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:51:35 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:41:20 2008''

Revision as of 16:41, 20 March 2008

Image:2uym.gif


PDB ID 2uym

Drag the structure with the mouse to rotate
, resolution 2.11Å
Sites:
Ligands: , and
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF KSP IN COMPLEX WITH ADP AND THIOPHENE CONTAINING INHIBITOR 37


Overview

We have identified and synthesized a series of thiophene containing inhibitors of kinesin spindle protein. SAR studies led to the synthesis of 33, which was co-crystallized with KSP and determined to bind to an allosteric pocket previously described for other known KSP inhibitors.

About this Structure

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

Reference

Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors., Pinkerton AB, Lee TT, Hoffman TZ, Wang Y, Kahraman M, Cook TG, Severance D, Gahman TC, Noble SA, Shiau AK, Davis RL, Bioorg Med Chem Lett. 2007 Jul 1;17(13):3562-9. Epub 2007 Apr 29. PMID:17498954

Page seeded by OCA on Thu Mar 20 18:41:20 2008

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