1g5s
From Proteopedia
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| - | [[Image:1g5s.gif|left|200px]] | + | [[Image:1g5s.gif|left|200px]] |
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| - | '''CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717''' | + | {{Structure |
| + | |PDB= 1g5s |SIZE=350|CAPTION= <scene name='initialview01'>1g5s</scene>, resolution 2.61Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=I17:2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE'>I17</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= CDK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | }} | ||
| + | |||
| + | '''CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1G5S is a [ | + | 1G5S 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=1G5S OCA]. |
==Reference== | ==Reference== | ||
| - | Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717., Dreyer MK, Borcherding DR, Dumont JA, Peet NP, Tsay JT, Wright PS, Bitonti AJ, Shen J, Kim SH, J Med Chem. 2001 Feb 15;44(4):524-30. PMID:[http:// | + | Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717., Dreyer MK, Borcherding DR, Dumont JA, Peet NP, Tsay JT, Wright PS, Bitonti AJ, Shen J, Kim SH, J Med Chem. 2001 Feb 15;44(4):524-30. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11170642 11170642] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:18:34 2008'' |
Revision as of 09:18, 20 March 2008
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| , resolution 2.61Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | CDK2 (Homo sapiens) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717
Overview
Cyclin-dependent kinases (CDKs) are regulatory proteins of the eukaryotic cell cycle. They act after association with different cyclins, the concentrations of which vary throughout the progression of the cell cycle. As central mediators of cell growth, CDKs are potential targets for inhibitory molecules that would allow disruption of the cell cycle in order to evoke an antiproliferative effect and may therefore be useful as cancer therapeutics. We synthesized several inhibitory 2,6,9-trisubstituted purine derivatives and solved the crystal structure of one of these compounds, H717, in complex with human CDK2 at 2.6 A resolution. The orientation of the C2-p-diaminocyclohexyl portion of the inhibitor is strikingly different from those of similar moieties in other related inhibitor complexes. The N9-cyclopentyl ring fully occupies a space in the enzyme which is otherwise empty, while the C6-N-aminobenzyl substituent points out of the ATP-binding site. The structure provides a basis for the further development of more potent inhibitory drugs.
About this Structure
1G5S is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717., Dreyer MK, Borcherding DR, Dumont JA, Peet NP, Tsay JT, Wright PS, Bitonti AJ, Shen J, Kim SH, J Med Chem. 2001 Feb 15;44(4):524-30. PMID:11170642
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