1h0w: Difference between revisions

Revision as of 06:26, 1 July 2008

This article has been automatically seeded. Changes to this page should pertain to the PDB entry only and not to the protein or biomolecule in general.

File:1h0w.png

Template:STRUCTURE 1h0w

HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 2-AMINO-6-[CYCLOHEX-3-ENYL]METHOXYPURINEHUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 2-AMINO-6-[CYCLOHEX-3-ENYL]METHOXYPURINE

Template:ABSTRACT PUBMED 12139449

About this StructureAbout this Structure

1H0W is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives., Gibson AE, Arris CE, Bentley J, Boyle FT, Curtin NJ, Davies TG, Endicott JA, Golding BT, Grant S, Griffin RJ, Jewsbury P, Johnson LN, Mesguiche V, Newell DR, Noble ME, Tucker JA, Whitfield HJ, J Med Chem. 2002 Aug 1;45(16):3381-93. PMID:12139449

Page seeded by OCA on Tue Jul 1 06:26:01 2008

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OCA

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 {{STRUCTURE_1h0w|  PDB=1h0w  |  SCENE=  }}
-'''HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 2-AMINO-6-[CYCLOHEX-3-ENYL]METHOXYPURINE'''
+===HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 2-AMINO-6-[CYCLOHEX-3-ENYL]METHOXYPURINE===
-==Overview==
+<!--
-O(6)-substituted guanines are adenosine 5'-triphosphate (ATP) competitive inhibitors of CDK1/cyclin B1 and CDK2/cyclin A, the O(6) substituent occupying the kinase ribose binding site. Fifty-eight O(6)-substituted guanines were prepared to probe the ribose pocket, and the structures of four representative compounds bound to monomeric CDK2 were determined by X-ray crystallography. Optimum binding occurs with a moderately sized aliphatic O(6) substituent that packs tightly against the hydrophobic patch presented by the glycine loop, centered on Val18, an interaction promoted by the conformational restraints imposed in a cyclohexylmethyl or cyclohexenylmethyl ring. Structure-based design generated (R)-(2-amino-9H-purin-6-yloxymethyl)pyrrolidin-2-one (56), which reproduces the reported hydrogen bonds formed between ATP and Asp86 and Gln131 but failed to improve inhibitory potency. Thus, the parent compound O(6)-cyclohexylmethylguanine (NU2058, 25) is the preferred starting point for exploring other areas of the kinase active site.
+The line below this paragraph, {{ABSTRACT_PUBMED_12139449}}, adds the Publication Abstract to the page
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+{{ABSTRACT_PUBMED_12139449}}
 ==About this Structure==
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 [[Category: Phosphorylation]]
 [[Category: Protein kinase]]
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