5fi6: Difference between revisions

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 ==Crystal structure of human GAC in complex with inhibitor UPGL_00011: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide==
-<StructureSection load='5fi6' size='340' side='right' caption='[[5fi6]], [[Resolution|resolution]] 2.52&Aring;' scene=''>
+<StructureSection load='5fi6' size='340' side='right'caption='[[5fi6]], [[Resolution|resolution]] 2.52&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[5fi6]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FI6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FI6 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[5fi6]] is a 4 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=5FI6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5FI6 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5XY:2-PHENYL-~{N}-[5-[[(3~{S})-1-[5-(2-PHENYLETHANOYLAMINO)-1,3,4-THIADIAZOL-2-YL]PYRROLIDIN-3-YL]AMINO]-1,3,4-THIADIAZOL-2-YL]ETHANAMIDE'>5XY</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.52&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5fi2|5fi2]], [[5fi7|5fi7]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5XY:2-PHENYL-~{N}-[5-[[(3~{S})-1-[5-(2-PHENYLETHANOYLAMINO)-1,3,4-THIADIAZOL-2-YL]PYRROLIDIN-3-YL]AMINO]-1,3,4-THIADIAZOL-2-YL]ETHANAMIDE'>5XY</scene></td></tr>
-<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=5fi6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fi6 OCA], [http://pdbe.org/5fi6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fi6 RCSB], [http://www.ebi.ac.uk/pdbsum/5fi6 PDBsum]</span></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=5fi6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fi6 OCA], [https://pdbe.org/5fi6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5fi6 RCSB], [https://www.ebi.ac.uk/pdbsum/5fi6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5fi6 ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/GLSK_HUMAN GLSK_HUMAN]] Catalyzes the first reaction in the primary pathway for the renal catabolism of glutamine. Plays a role in maintaining acid-base homeostasis. Regulates the levels of the neurotransmitter glutamate in the brain. Isoform 2 lacks catalytic activity.
+[https://www.uniprot.org/uniprot/GLSK_HUMAN GLSK_HUMAN] Catalyzes the first reaction in the primary pathway for the renal catabolism of glutamine. Plays a role in maintaining acid-base homeostasis. Regulates the levels of the neurotransmitter glutamate in the brain. Isoform 2 lacks catalytic activity.
-<div style="background-color:#fffaf0;">
-== Publication Abstract from PubMed ==
-A novel set of GAC (kidney glutaminase isoform C) inhibitors able to inhibit the enzymatic activity of GAC and the growth of the triple negative MDA-MB-231 breast cancer cells with low nanomolar potency is described. Compounds in this series have a reduced number of rotatable bonds, improved ClogPs, microsomal stability and ligand efficiency when compared to the leading GAC inhibitors BPTES and CB-839. Property improvements were achieved by the replacement of the flexible n-diethylthio or the n-butyl moiety present in the leading inhibitors by heteroatom substituted heterocycloalkanes.
-Design and evaluation of novel glutaminase inhibitors.,McDermott LA, Iyer P, Vernetti L, Rimer S, Sun J, Boby M, Yang T, Fioravanti M, O'Neill J, Wang L, Drakes D, Katt W, Huang Q, Cerione R Bioorg Med Chem. 2016 Apr 15;24(8):1819-39. doi: 10.1016/j.bmc.2016.03.009. Epub , 2016 Mar 7. PMID:26988803<ref>PMID:26988803</ref>
+==See Also==
+*[[Glutaminase 3D structures|Glutaminase 3D structures]]
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 5fi6" style="background-color:#fffaf0;"></div>
-== References ==
-<references/>
 __TOC__
 </StructureSection>
-[[Category: Cerione, R]]
+[[Category: Homo sapiens]]
-[[Category: Huang, Q]]
+[[Category: Large Structures]]
-[[Category: Complex]]
+[[Category: Cerione R]]
-[[Category: Glutaminase c]]
+[[Category: Huang Q]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]
-[[Category: Inhibitor]]