2c1a: Difference between revisions

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Revision as of 17:09, 20 March 2008

File:2c1a.gif

, resolution 1.95Å

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Ligands:

Activity:

Transferred entry: 2.7.11.1, with EC number 2.7.1.37

Coordinates:

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STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE

OverviewOverview

Structure-based drug design of novel isoquinoline-5-sulfonamide inhibitors of PKB as potential antitumour agents was investigated. Constrained pyrrolidine analogues that mimicked the bound conformation of linear prototypes were identified and investigated by co-crystal structure determinations with the related protein PKA. Detailed variation in the binding modes between inhibitors with similar overall conformations was observed. Potent PKB inhibitors from this series inhibited GSK3beta phosphorylation in cellular assays, consistent with inhibition of PKB kinase activity in cells.

About this StructureAbout this Structure

2C1A is a Protein complex structure of sequences from Bos taurus and Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B., Collins I, Caldwell J, Fonseca T, Donald A, Bavetsias V, Hunter LJ, Garrett MD, Rowlands MG, Aherne GW, Davies TG, Berdini V, Woodhead SJ, Davis D, Seavers LC, Wyatt PG, Workman P, McDonald E, Bioorg Med Chem. 2006 Feb 15;14(4):1255-73. Epub 2005 Oct 24. PMID:16249095

Page seeded by OCA on Thu Mar 20 16:09:28 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-[[Image:2c1a.gif|left|200px]]<br /><applet load="2c1a" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:2c1a.gif|left|200px]]
-caption="2c1a, resolution 1.95&Aring;" />
-'''STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE'''<br />
+ {{Structure
+|PDB= 2c1a |SIZE=350|CAPTION= <scene name='initialview01'>2c1a</scene>, resolution 1.95&Aring;
+|SITE= <scene name='pdbsite=AC1:I5s+Binding+Site+For+Chain+A'>AC1</scene>
+|LIGAND= <scene name='pdbligand=I5S:ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE'>I5S</scene>
+|ACTIVITY= [http://en.wikipedia.org/wiki/Transferred_entry:_2.7.11.1 Transferred entry: 2.7.11.1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37]
+|GENE=
+}}
+'''STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-C1A is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=I5S:'>I5S</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Transferred_entry:_2.7.11.1 Transferred entry: 2.7.11.1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37] Known structural/functional Site: <scene name='pdbsite=AC1:I5s+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1A OCA].
+C1A is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1A OCA].
 ==Reference==
-Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B., Collins I, Caldwell J, Fonseca T, Donald A, Bavetsias V, Hunter LJ, Garrett MD, Rowlands MG, Aherne GW, Davies TG, Berdini V, Woodhead SJ, Davis D, Seavers LC, Wyatt PG, Workman P, McDonald E, Bioorg Med Chem. 2006 Feb 15;14(4):1255-73. Epub 2005 Oct 24. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16249095 16249095]
+Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B., Collins I, Caldwell J, Fonseca T, Donald A, Bavetsias V, Hunter LJ, Garrett MD, Rowlands MG, Aherne GW, Davies TG, Berdini V, Woodhead SJ, Davis D, Seavers LC, Wyatt PG, Workman P, McDonald E, Bioorg Med Chem. 2006 Feb 15;14(4):1255-73. Epub 2005 Oct 24. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16249095 16249095]
 [[Category: Bos taurus]]
 [[Category: Homo sapiens]]
@@ Line 40: / Line 49: @@
 [[Category: transferase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:43:48 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:09:28 2008''