2c1b

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==STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE==
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[[Image:2c1b.png|left|200px]]
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<StructureSection load='2c1b' size='340' side='right' caption='[[2c1b]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2c1b]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1B FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CQP:(4R,2S)-5-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE'>CQP</scene></td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1kmu|1kmu]], [[1kmw|1kmw]], [[1q24|1q24]], [[1q61|1q61]], [[1q62|1q62]], [[1q8t|1q8t]], [[1q8u|1q8u]], [[1q8w|1q8w]], [[1smh|1smh]], [[1stc|1stc]], [[1sve|1sve]], [[1svg|1svg]], [[1svh|1svh]], [[1szm|1szm]], [[1veb|1veb]], [[1ydr|1ydr]], [[1yds|1yds]], [[1ydt|1ydt]], [[2c1a|2c1a]], [[1cmk|1cmk]]</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1, 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1 2.7.11.1, 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c1b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1b OCA], [http://pdbe.org/2c1b PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2c1b RCSB], [http://www.ebi.ac.uk/pdbsum/2c1b PDBsum]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/IPKA_HUMAN IPKA_HUMAN]] Extremely potent competitive inhibitor of cAMP-dependent protein kinase activity, this protein interacts with the catalytic subunit of the enzyme after the cAMP-induced dissociation of its regulatory chains.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/c1/2c1b_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2c1b ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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<!--
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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<ref>PMID:16249095</ref>
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The line below this paragraph, containing "STRUCTURE_2c1b", creates the "Structure Box" on the page.
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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-->
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{{STRUCTURE_2c1b| PDB=2c1b | SCENE= }}
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===STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2c1b" style="background-color:#fffaf0;"></div>
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==See Also==
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<!--
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*[[CAMP-dependent protein kinase|CAMP-dependent protein kinase]]
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The line below this paragraph, {{ABSTRACT_PUBMED_16249095}}, adds the Publication Abstract to the page
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== References ==
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(as it appears on PubMed at http://www.pubmed.gov), where 16249095 is the PubMed ID number.
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<references/>
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-->
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__TOC__
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{{ABSTRACT_PUBMED_16249095}}
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</StructureSection>
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[[Category: Bovin]]
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==About this Structure==
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[[Category: Transferase]]
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2C1B is a 2 chains 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=2C1B OCA].
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[[Category: Aherne, G W]]
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[[Category: Bavetsias, V]]
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==Reference==
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[[Category: Berdini, V]]
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<ref group="xtra">PMID:16249095</ref><references group="xtra"/>
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[[Category: Caldwell, J]]
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[[Category: Bos taurus]]
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[[Category: Collins, I]]
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[[Category: Homo sapiens]]
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[[Category: Davies, T G]]
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[[Category: Non-specific serine/threonine protein kinase]]
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[[Category: Donald, A]]
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[[Category: Aherne, G W.]]
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[[Category: Fonseca, T]]
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[[Category: Bavetsias, V.]]
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[[Category: Garrett, M D]]
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[[Category: Berdini, V.]]
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[[Category: Hunter, L J]]
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[[Category: Caldwell, J.]]
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[[Category: Mcdonald, E]]
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[[Category: Collins, I.]]
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[[Category: Rowlands, M G]]
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[[Category: Davies, T G.]]
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[[Category: Seavers, L C.A]]
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[[Category: Donald, A.]]
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[[Category: Woodhead, S J]]
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[[Category: Fonseca, T.]]
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[[Category: Workman, P]]
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[[Category: Garrett, M D.]]
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[[Category: Wyatt, P G]]
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[[Category: Hunter, L J.]]
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[[Category: Mcdonald, E.]]
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[[Category: Rowlands, M G.]]
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[[Category: Seavers, L C.A.]]
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[[Category: Woodhead, S.]]
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[[Category: Workman, P.]]
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[[Category: Wyatt, P G.]]
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[[Category: Atp-binding]]
[[Category: Atp-binding]]
[[Category: Camp]]
[[Category: Camp]]
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[[Category: Protein kinase inhibitor]]
[[Category: Protein kinase inhibitor]]
[[Category: Serine/threonine-protein kinase]]
[[Category: Serine/threonine-protein kinase]]
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[[Category: Transferase]]
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[[Category: Transferase-inhibitor complex]]
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[[Category: Transferase/inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 07:08:04 2009''
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Current revision

STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE

2c1b, resolution 2.00Å

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