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2ds1
From Proteopedia
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| - | [[Image:2ds1.jpg|left|200px]] | + | [[Image:2ds1.jpg|left|200px]] |
| - | + | ||
| - | '''Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor''' | + | {{Structure |
| + | |PDB= 2ds1 |SIZE=350|CAPTION= <scene name='initialview01'>2ds1</scene>, resolution 2.0Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=1CD:(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE'>1CD</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/Cyclin-dependent_kinase Cyclin-dependent kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.22 2.7.11.22] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor''' | ||
| + | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
| - | 2DS1 is a [ | + | 2DS1 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=2DS1 OCA]. |
==Reference== | ==Reference== | ||
| - | Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure., Kawanishi N, Sugimoto T, Shibata J, Nakamura K, Masutani K, Ikuta M, Hirai H, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5122-6. Epub 2006 Jul 28. PMID:[http:// | + | Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure., Kawanishi N, Sugimoto T, Shibata J, Nakamura K, Masutani K, Ikuta M, Hirai H, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5122-6. Epub 2006 Jul 28. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16876403 16876403] |
[[Category: Cyclin-dependent kinase]] | [[Category: Cyclin-dependent kinase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| Line 20: | Line 29: | ||
[[Category: protein kinase]] | [[Category: protein kinase]] | ||
| - | ''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 16:30:50 2008'' |
Revision as of 14:30, 20 March 2008
| |||||||
| , resolution 2.0Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Cyclin-dependent kinase, with EC number 2.7.11.22 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor
Overview
The design of a novel series of cyclin-dependent kinase (CDK) inhibitors containing a macrocyclic quinoxaline-2-one is reported. Structure-based drug design and optimization from the starting point of diarylurea 2, which we previously reported as a moderate CDK1,2,4,6 inhibitor [J. Biol.Chem.2001, 276, 27548], led to the discovery of potent CDK1,2,4,6 inhibitor that were suitable for iv administration for in vivo study.
About this Structure
2DS1 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure., Kawanishi N, Sugimoto T, Shibata J, Nakamura K, Masutani K, Ikuta M, Hirai H, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5122-6. Epub 2006 Jul 28. PMID:16876403
Page seeded by OCA on Thu Mar 20 16:30:50 2008
