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2gm1

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{{STRUCTURE_2gm1| PDB=2gm1 | SCENE= }}
{{STRUCTURE_2gm1| PDB=2gm1 | SCENE= }}
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'''Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide'''
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===Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide===
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==Overview==
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Synthesis and SAR of substituted pyrrolotriazine-4-one analogues as Eg5 inhibitors are described. Many of these analogues displayed potent inhibitory activities in the Eg5 ATPase and A2780 cell proliferation assays. In addition, pyrrolotriazine-4-one analogue 26 demonstrated in vivo efficacy in an iv P388 murine leukemia model. Both NMR and X-ray crystallographic studies revealed that these analogues bind to an allosteric site on the Eg5 protein.
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(as it appears on PubMed at http://www.pubmed.gov), where 16730979 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16730979}}
==About this Structure==
==About this Structure==
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[[Category: Sheriff, S.]]
[[Category: Sheriff, S.]]
[[Category: Eg5 mg-adp complex inhibitor]]
[[Category: Eg5 mg-adp complex inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 05:15:27 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 20:26:13 2008''

Revision as of 17:26, 28 July 2008

Image:2gm1.png

Template:STRUCTURE 2gm1

Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide

Template:ABSTRACT PUBMED 16730979

About this Structure

2GM1 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors., Kim KS, Lu S, Cornelius LA, Lombardo LJ, Borzilleri RM, Schroeder GM, Sheng C, Rovnyak G, Crews D, Schmidt RJ, Williams DK, Bhide RS, Traeger SC, McDonnell PA, Mueller L, Sheriff S, Newitt JA, Pudzianowski AT, Yang Z, Wild R, Lee FY, Batorsky R, Ryder JS, Ortega-Nanos M, Shen H, Gottardis M, Roussell DL, Bioorg Med Chem Lett. 2006 Aug 1;16(15):3937-42. Epub 2006 May 30. PMID:16730979

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