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5m4e

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==Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase==
==Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase==
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<StructureSection load='5m4e' size='340' side='right' caption='[[5m4e]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='5m4e' size='340' side='right'caption='[[5m4e]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5m4e]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5M4E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5M4E FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5m4e]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5M4E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5M4E 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=7F9:~{N}-[2-(ETHYLAMINO)-2-OXIDANYLIDENE-ETHYL]-~{N}-(4-METHOXYPHENYL)-2,4-BIS(OXIDANYL)BENZAMIDE'>7F9</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</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=5m4e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m4e OCA], [http://pdbe.org/5m4e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5m4e RCSB], [http://www.ebi.ac.uk/pdbsum/5m4e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5m4e ProSAT]</span></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7F9:~{N}-[2-(ETHYLAMINO)-2-OXIDANYLIDENE-ETHYL]-~{N}-(4-METHOXYPHENYL)-2,4-BIS(OXIDANYL)BENZAMIDE'>7F9</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5m4e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m4e OCA], [https://pdbe.org/5m4e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5m4e RCSB], [https://www.ebi.ac.uk/pdbsum/5m4e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5m4e ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
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[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 5m4e" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5m4e" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Heat Shock Protein structures|Heat Shock Protein structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Baker, L M]]
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[[Category: Homo sapiens]]
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[[Category: Cancer]]
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[[Category: Large Structures]]
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[[Category: Fragment screening]]
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[[Category: Baker LM]]
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[[Category: Hsp90]]
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[[Category: Kinase inhibitor]]
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[[Category: Off-rate screening]]
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[[Category: Pdhk]]
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[[Category: Pdk1]]
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[[Category: Pdk2]]
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[[Category: Pdk3]]
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[[Category: Pdk4]]
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[[Category: Spr]]
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[[Category: Transferase]]
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Current revision

Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase

PDB ID 5m4e

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