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6wpp

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Current revision (14:46, 6 March 2024) (edit) (undo)
 
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<StructureSection load='6wpp' size='340' side='right'caption='[[6wpp]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
<StructureSection load='6wpp' size='340' side='right'caption='[[6wpp]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6wpp]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6WPP OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6WPP FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6wpp]] is a 2 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=6WPP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WPP FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PZ4:5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine'>PZ4</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]] 2.55&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">MAP3K14, NIK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=PZ4:5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine'>PZ4</scene></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/Mitogen-activated_protein_kinase_kinase_kinase Mitogen-activated protein kinase kinase kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.25 2.7.11.25] </span></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=6wpp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wpp OCA], [https://pdbe.org/6wpp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wpp RCSB], [https://www.ebi.ac.uk/pdbsum/6wpp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wpp ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6wpp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wpp OCA], [http://pdbe.org/6wpp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6wpp RCSB], [http://www.ebi.ac.uk/pdbsum/6wpp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6wpp ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/M3K14_HUMAN M3K14_HUMAN]] Lymphotoxin beta-activated kinase which seems to be exclusively involved in the activation of NF-kappa-B and its transcriptional activity. Promotes proteolytic processing of NFKB2/P100, which leads to activation of NF-kappa-B via the non-canonical pathway. Could act in a receptor-selective manner.<ref>PMID:15084608</ref>
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[https://www.uniprot.org/uniprot/M3K14_HUMAN M3K14_HUMAN] Lymphotoxin beta-activated kinase which seems to be exclusively involved in the activation of NF-kappa-B and its transcriptional activity. Promotes proteolytic processing of NFKB2/P100, which leads to activation of NF-kappa-B via the non-canonical pathway. Could act in a receptor-selective manner.<ref>PMID:15084608</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Relative free energy perturbation (FEP) methods have become increasingly popular within the pharmaceutical industry; however, despite time constraints within drug discovery cycles, caution should be applied in the deployment of such methods as protein preparation and system setup can greatly impact the accuracy of free energy predictions.
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Impact of Protein Preparation on Resulting Accuracy of FEP Calculations.,Shih AY, Hack M, Mirzadegan T J Chem Inf Model. 2020 Aug 2. doi: 10.1021/acs.jcim.0c00445. PMID:32786514<ref>PMID:32786514</ref>
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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 6wpp" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Mitogen-activated protein kinase kinase kinase]]
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[[Category: Hack M]]
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[[Category: Hack, M]]
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[[Category: Mirzadegan T]]
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[[Category: Mirzadegan, T]]
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[[Category: Shih AY]]
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[[Category: Shih, A Y]]
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[[Category: Immune system]]
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[[Category: Nf-kappab signaling]]
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Current revision

HUMAN NIK IN COMPLEX WITH LIGAND COMPOUND X

PDB ID 6wpp

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