4in4: Difference between revisions

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-'''Unreleased structure'''
-The entry 4in4 is ON HOLD  until Paper Publication
+==Crystal structure of cpd 15 bound to Keap1 Kelch domain==
+<StructureSection load='4in4' size='340' side='right'caption='[[4in4]], [[Resolution|resolution]] 2.59&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4in4]] is a 3 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=4IN4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IN4 FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.59&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4ID:2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE'>4ID</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4in4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4in4 OCA], [https://pdbe.org/4in4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4in4 RCSB], [https://www.ebi.ac.uk/pdbsum/4in4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4in4 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/KEAP1_HUMAN KEAP1_HUMAN]
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Keap1 binds to the Nrf2 transcription factor to promote its degradation, resulting in the loss of gene products that protect against oxidative stress. While cell-active small molecules have been identified that modify cysteines in Keap1 and effect the Nrf2 dependent pathway, few act through a non-covalent mechanism. We have identified and characterized several small molecule compounds that specifically bind to the Keap1 Kelch-DC domain as measured by NMR, native mass spectrometry and X-ray crystallography. One compound upregulates Nrf2 response genes measured by a luciferase cell reporter assay. The non-covalent inhibition strategy presents a reasonable course of action to avoid toxic side-effects due to non-specific cysteine modification.
-Authors: Silvian, L., Marcotte, D.
+Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.,Marcotte D, Zeng W, Hus JC, McKenzie A, Hession C, Jin P, Bergeron C, Lugovskoy A, Enyedy I, Cuervo H, Wang D, Atmanene C, Roecklin D, Vecchi M, Vivat V, Kraemer J, Winkler D, Hong V, Chao J, Lukashev M, Silvian L Bioorg Med Chem. 2013 Jul 15;21(14):4011-9. doi: 10.1016/j.bmc.2013.04.019. Epub , 2013 Apr 19. PMID:23647822<ref>PMID:23647822</ref>
-Description: Crystal structure of cpd 15 bound to Keap1 Kelch domain
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 4in4" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Kelch-like protein 3D structures|Kelch-like protein 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Marcotte D]]
+[[Category: Silvian L]]