2f7x

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|SITE=
|SITE=
|LIGAND= <scene name='pdbligand=4EA:(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE'>4EA</scene>
|LIGAND= <scene name='pdbligand=4EA:(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE'>4EA</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1]
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span>
|GENE= PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 Bos taurus])
|GENE= PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 Bos taurus])
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|DOMAIN=
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|RELATEDENTRY=[[2f7e|2F7E]], [[1yds|1YDS]], [[2f7z|2F7Z]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2f7x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f7x OCA], [http://www.ebi.ac.uk/pdbsum/2f7x PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2f7x RCSB]</span>
}}
}}
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[[Category: Stoll, V S.]]
[[Category: Stoll, V S.]]
[[Category: Zhu, G D.]]
[[Category: Zhu, G D.]]
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[[Category: 4EA]]
 
[[Category: akt inhibitor]]
[[Category: akt inhibitor]]
[[Category: protein kinase some]]
[[Category: protein kinase some]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:49:10 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:59:07 2008''

Revision as of 23:59, 30 March 2008

Image:2f7x.gif


PDB ID 2f7x

Drag the structure with the mouse to rotate
, resolution 1.90Å
Ligands:
Gene: PRKACA (Bos taurus)
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Related: 2F7E, 1YDS, 2F7Z


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine


Overview

A novel series of Akt/PKB inhibitors derived from a screening lead (1) has been prepared. The novel trans-3,4'-bispyridinylethylenes described herein are potent inhibitors of Akt/PKB with IC(50) values in the low double-digit nanomolar range against Akt1. Compound 2q shows excellent selectivity against distinct families of kinases such as tyrosine kinases and CAMK, and displays poor to modest selectivity against closely related kinases in the AGC and CMGC families. The cellular activities including inhibition of cell growth and phosphorylation of downstream target GSK3 are also described. The X-ray structure of compound 2q complexed with PKA in the ATP binding site was determined.

About this Structure

2F7X is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation., Li Q, Li T, Zhu GD, Gong J, Claibone A, Dalton C, Luo Y, Johnson EF, Shi Y, Liu X, Klinghofer V, Bauch JL, Marsh KC, Bouska JJ, Arries S, De Jong R, Oltersdorf T, Stoll VS, Jakob CG, Rosenberg SH, Giranda VL, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1679-85. Epub 2006 Jan 5. PMID:16403626

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