This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.

Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


2i40

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:2i40.gif|left|200px]]<br /><applet load="2i40" size="350" color="white" frame="true" align="right" spinBox="true"
+
[[Image:2i40.gif|left|200px]]
-
caption="2i40, resolution 2.80&Aring;" />
+
 
-
'''Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor'''<br />
+
{{Structure
 +
|PDB= 2i40 |SIZE=350|CAPTION= <scene name='initialview01'>2i40</scene>, resolution 2.80&Aring;
 +
|SITE=
 +
|LIGAND= <scene name='pdbligand=BLZ:5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE'>BLZ</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= CDK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]), CCNA2, CCN1, CCNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
 +
}}
 +
 
 +
'''Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor'''
 +
 
==Overview==
==Overview==
Line 7: Line 16:
==About this Structure==
==About this Structure==
-
2I40 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 <scene name='pdbligand=BLZ:'>BLZ</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2I40 OCA].
+
2I40 is a [[Protein complex]] structure of sequences 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=2I40 OCA].
==Reference==
==Reference==
-
5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase., Bamborough P, Christopher JA, Cutler GJ, Dickson MC, Mellor GW, Morey JV, Patel CB, Shewchuk LM, Bioorg Med Chem Lett. 2006 Dec 15;16(24):6236-40. Epub 2006 Sep 25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16997559 16997559]
+
5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase., Bamborough P, Christopher JA, Cutler GJ, Dickson MC, Mellor GW, Morey JV, Patel CB, Shewchuk LM, Bioorg Med Chem Lett. 2006 Dec 15;16(24):6236-40. Epub 2006 Sep 25. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16997559 16997559]
[[Category: Cyclin-dependent kinase]]
[[Category: Cyclin-dependent kinase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
Line 20: Line 29:
[[Category: kinase]]
[[Category: kinase]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:48:47 2008''
+
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:25:07 2008''

Revision as of 15:25, 20 March 2008

Image:2i40.gif


PDB ID 2i40

Drag the structure with the mouse to rotate
, resolution 2.80Å
Ligands:
Gene: CDK2 (Homo sapiens), CCNA2, CCN1, CCNA (Homo sapiens)
Activity: Cyclin-dependent kinase, with EC number 2.7.11.22
Coordinates: save as pdb, mmCIF, xml



Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor


Overview

The identification and hit-to-lead exploration of a novel, potent and selective series of substituted benzimidazole-thiophene carbonitrile inhibitors of IKK-epsilon kinase is described. Compound 12e was identified with an IKK-epsilon enzyme potency of pIC(50) 7.4, and has a highly encouraging wider selectivity profile, including selectivity within the IKK kinase family.

About this Structure

2I40 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase., Bamborough P, Christopher JA, Cutler GJ, Dickson MC, Mellor GW, Morey JV, Patel CB, Shewchuk LM, Bioorg Med Chem Lett. 2006 Dec 15;16(24):6236-40. Epub 2006 Sep 25. PMID:16997559

Page seeded by OCA on Thu Mar 20 17:25:07 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2i40"
Personal tools