1oi9
From Proteopedia
(New page: 200px<br /> <applet load="1oi9" size="450" color="white" frame="true" align="right" spinBox="true" caption="1oi9, resolution 2.100Å" /> '''STRUCTURE OF HUMAN...) |
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==About this Structure== | ==About this Structure== | ||
| - | 1OI9 is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with MG, N20 and SGM as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1OI9 OCA]]. | + | 1OI9 is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with MG, N20 and SGM as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Transferred_entry:_2.7.11.1 Transferred entry: 2.7.11.1]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1OI9 OCA]]. |
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| + | [[Category: Transferred entry: 2.7.11.1]] | ||
[[Category: Endicott, J.A.]] | [[Category: Endicott, J.A.]] | ||
[[Category: Noble, M.E.M.]] | [[Category: Noble, M.E.M.]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 12:18:47 2007'' |
Revision as of 10:14, 30 October 2007
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 6-CYCLOHEXYLMETHYLOXY-2-ANILINO-PURINE INHIBITOR
Overview
The adenosine 5'-triphosphate (ATP) competitive cyclin-dependent kinase, inhibitor O(6)-cyclohexylmethylguanine (NU2058, 1) has been employed as, the lead in a structure-based drug discovery program resulting in the, discovery of the potent CDK1 and -2 inhibitor NU6102 (3, IC(50) = 9.5 nM, and 5.4 nM vs CDK1/cyclinB and CDK2/cyclinA3, respectively). The SAR for, this series have been explored further by the synthesis and evaluation of, 45 N(2)-substituted analogues of NU2058. These studies have confirmed the, requirement for the hydrogen bonding N(2)-NH group and the requirement for, an aromatic N(2)-substituent to confer potency in the series. Additional, potency is conferred by the presence of a group capable of donating a, hydrogen bond at the 4'-position, for example, the 4'-hydroxy ... [(full description)]
About this Structure
1OI9 is a [Protein complex] structure of sequences from [Homo sapiens] with MG, N20 and SGM as [ligands]. Active as [Transferred entry: 2.7.11.1], with EC number [2.7.1.37]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2., Hardcastle IR, Arris CE, Bentley J, Boyle FT, Chen Y, Curtin NJ, Endicott JA, Gibson AE, Golding BT, Griffin RJ, Jewsbury P, Menyerol J, Mesguiche V, Newell DR, Noble ME, Pratt DJ, Wang LZ, Whitfield HJ, J Med Chem. 2004 Jul 15;47(15):3710-22. PMID:15239650
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