2vo0

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (01:27, 21 November 2024) (edit) (undo)
 
(9 intermediate revisions not shown.)
Line 1: Line 1:
-
{{Seed}}
 
-
[[Image:2vo0.png|left|200px]]
 
-
<!--
+
==Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine==
-
The line below this paragraph, containing "STRUCTURE_2vo0", creates the "Structure Box" on the page.
+
<StructureSection load='2vo0' size='340' side='right'caption='[[2vo0]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
-
You may change the PDB parameter (which sets the PDB file loaded into the applet)
+
== Structural highlights ==
-
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+
<table><tr><td colspan='2'>[[2vo0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VO0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VO0 FirstGlance]. <br>
-
or leave the SCENE parameter empty for the default display.
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.94&#8491;</td></tr>
-
-->
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=M03:1-[4-(4-CHLOROPHENYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDIN-4-YL]METHANAMINE'>M03</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-
{{STRUCTURE_2vo0| PDB=2vo0 | SCENE= }}
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2vo0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vo0 OCA], [https://pdbe.org/2vo0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vo0 RCSB], [https://www.ebi.ac.uk/pdbsum/2vo0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vo0 ProSAT]</span></td></tr>
 +
</table>
 +
== Evolutionary Conservation ==
 +
[[Image:Consurf_key_small.gif|200px|right]]
 +
Check<jmol>
 +
<jmolCheckbox>
 +
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vo/2vo0_consurf.spt"</scriptWhenChecked>
 +
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
 +
<text>to colour the structure by Evolutionary Conservation</text>
 +
</jmolCheckbox>
 +
</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=2vo0 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Fragment-based screening identified 7-azaindole as a protein kinase B inhibitor scaffold. Fragment elaboration using iterative crystallography of inhibitor-PKA-PKB chimera complexes efficiently guided improvements in the potency and selectivity of the compounds, resulting in the identification of nanomolar 6-(piperidin-1-yl)purine, 4-(piperidin-1-yl)-7-azaindole, and 4-(piperidin-1-yl)pyrrolo[2,3- d]pyrimidine inhibitors of PKBbeta with antiproliferative activity and showing pathway inhibition in cells. A divergence in the binding mode was seen between 4-aminomethylpiperidine and 4-aminopiperidine containing molecules. Selectivity for PKB vs PKA was observed with 4-aminopiperidine derivatives, and the most PKB-selective inhibitor (30-fold) showed significantly different bound conformations between PKA and PKA-PKB chimera.
-
===STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH C-(4-(4-CHLOROPHENYL)-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDIN-4-YL)METHYLAMINE===
+
Identification of 4-(4-Aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as Selective Inhibitors of Protein Kinase B through Fragment Elaboration.,Caldwell JJ, Davies TG, Donald A, McHardy T, Rowlands MG, Aherne GW, Hunter LK, Taylor K, Ruddle R, Raynaud FI, Verdonk M, Workman P, Garrett MD, Collins I J Med Chem. 2008 Apr 10;51(7):2147-57. Epub 2008 Mar 18. PMID:18345609<ref>PMID:18345609</ref>
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 2vo0" style="background-color:#fffaf0;"></div>
-
<!--
+
==See Also==
-
The line below this paragraph, {{ABSTRACT_PUBMED_18345609}}, adds the Publication Abstract to the page
+
*[[CAMP-dependent protein kinase 3D structures|CAMP-dependent protein kinase 3D structures]]
-
(as it appears on PubMed at http://www.pubmed.gov), where 18345609 is the PubMed ID number.
+
== References ==
-
-->
+
<references/>
-
{{ABSTRACT_PUBMED_18345609}}
+
__TOC__
-
 
+
</StructureSection>
-
==About this Structure==
+
-
2VO0 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VO0 OCA].
+
-
 
+
-
==Reference==
+
-
Identification of 4-(4-Aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as Selective Inhibitors of Protein Kinase B through Fragment Elaboration., Caldwell JJ, Davies TG, Donald A, McHardy T, Rowlands MG, Aherne GW, Hunter LK, Taylor K, Ruddle R, Raynaud FI, Verdonk M, Workman P, Garrett MD, Collins I, J Med Chem. 2008 Apr 10;51(7):2147-57. Epub 2008 Mar 18. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18345609 18345609]
+
[[Category: Bos taurus]]
[[Category: Bos taurus]]
-
[[Category: Protein complex]]
+
[[Category: Homo sapiens]]
-
[[Category: CAMP-dependent protein kinase]]
+
[[Category: Large Structures]]
-
[[Category: Aherne, G W.]]
+
[[Category: Aherne GW]]
-
[[Category: Caldwell, J J.]]
+
[[Category: Caldwell JJ]]
-
[[Category: Collins, I.]]
+
[[Category: Collins I]]
-
[[Category: Davies, T G.]]
+
[[Category: Davies TG]]
-
[[Category: Donald, A.]]
+
[[Category: Donald A]]
-
[[Category: Garrett, M D.]]
+
[[Category: Garrett MD]]
-
[[Category: Hunter, L K.]]
+
[[Category: Hunter LK]]
-
[[Category: Mchardy, T.]]
+
[[Category: McHardy T]]
-
[[Category: Raynaud, F I.]]
+
[[Category: Raynaud FI]]
-
[[Category: Rowlands, M G.]]
+
[[Category: Rowlands MG]]
-
[[Category: Ruddle, R.]]
+
[[Category: Ruddle R]]
-
[[Category: Taylor, K.]]
+
[[Category: Taylor K]]
-
[[Category: Verdonk, M.]]
+
[[Category: Verdonk M]]
-
[[Category: Workman, P.]]
+
[[Category: Workman P]]
-
[[Category: Atp-binding]]
+
-
[[Category: Camp]]
+
-
[[Category: Cytoplasm]]
+
-
[[Category: Kinase]]
+
-
[[Category: Lipoprotein]]
+
-
[[Category: Myristate]]
+
-
[[Category: Nucleotide-binding]]
+
-
[[Category: Nucleus]]
+
-
[[Category: Phosphoprotein]]
+
-
[[Category: Protein kinase inhibitor]]
+
-
[[Category: Serine/threonine-protein kinase]]
+
-
[[Category: Transferase]]
+
-
 
+
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 03:04:25 2008''
+

Current revision

Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine

PDB ID 2vo0

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2vo0"
Personal tools