1p2a
From Proteopedia
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| - | [[Image:1p2a.jpg|left|200px]] | + | [[Image:1p2a.jpg|left|200px]] |
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| - | '''The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor''' | + | {{Structure |
| + | |PDB= 1p2a |SIZE=350|CAPTION= <scene name='initialview01'>1p2a</scene>, resolution 2.5Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=5BN:5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE'>5BN</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= CDK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | }} | ||
| + | |||
| + | '''The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1P2A is a [ | + | 1P2A 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=1P2A OCA]. |
==Reference== | ==Reference== | ||
| - | 3,5,6-Trisubstituted naphthostyrils as CDK2 inhibitors., Liu JJ, Dermatakis A, Lukacs C, Konzelmann F, Chen Y, Kammlott U, Depinto W, Yang H, Yin X, Chen Y, Schutt A, Simcox ME, Luk KC, Bioorg Med Chem Lett. 2003 Aug 4;13(15):2465-8. PMID:[http:// | + | 3,5,6-Trisubstituted naphthostyrils as CDK2 inhibitors., Liu JJ, Dermatakis A, Lukacs C, Konzelmann F, Chen Y, Kammlott U, Depinto W, Yang H, Yin X, Chen Y, Schutt A, Simcox ME, Luk KC, Bioorg Med Chem Lett. 2003 Aug 4;13(15):2465-8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12852944 12852944] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: naphthostyril oxindole]] | [[Category: naphthostyril oxindole]] | ||
| - | ''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 13:18:52 2008'' |
Revision as of 11:18, 20 March 2008
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| , resolution 2.5Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | CDK2 (Homo sapiens) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor
Overview
A novel class of 3,5,6-trisubstituted naphthostyril analogues was designed and synthesized to study the structure-activity relationship for inhibition of cyclin-dependent kinase 2 (CDK2). These compounds, particularly molecules with side-chain modifications providing additional hydrogen bonding capability, were demonstrated to be potent CDK2 inhibitors with cellular activities consistent with CDK2 inhibition. These molecules inhibited tumor cell proliferation and G1-S and G2-M cell-cycle progression in vitro. The X-ray crystal structure of a 2-aminoethyleneamine derivative bound to CDK2, refined to 2.5A resolution, is presented.
About this Structure
1P2A is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
3,5,6-Trisubstituted naphthostyrils as CDK2 inhibitors., Liu JJ, Dermatakis A, Lukacs C, Konzelmann F, Chen Y, Kammlott U, Depinto W, Yang H, Yin X, Chen Y, Schutt A, Simcox ME, Luk KC, Bioorg Med Chem Lett. 2003 Aug 4;13(15):2465-8. PMID:12852944
Page seeded by OCA on Thu Mar 20 13:18:52 2008
