5i94 - Revision history

OCA at 08:27, 23 August 2023

OCA — Wed, 23 Aug 2023 08:27:17 GMT

←Older revision		Revision as of 08:27, 23 August 2023
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	<StructureSection load='5i94' size='340' side='right'caption='[[5i94]], [[Resolution\|resolution]] 2.98Å' scene=''>		<StructureSection load='5i94' size='340' side='right'caption='[[5i94]], [[Resolution\|resolution]] 2.98Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5i94]] is a 4 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=5I94 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5I94 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5i94]] 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=5I94 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5I94 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=69V:2-PHENYL-N-{5-[4-({5-[(PHENYLACETYL)AMINO]-1,3,4-THIADIAZOL-2-YL}OXY)PIPERIDIN-1-YL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE'>69V</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]] 2.983Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5fi2\|5fi2]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=69V:2-PHENYL-N-{5-[4-({5-[(PHENYLACETYL)AMINO]-1,3,4-THIADIAZOL-2-YL}OXY)PIPERIDIN-1-YL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE'>69V</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLS, GLS1, KIAA0838 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=5i94 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i94 OCA], [https://pdbe.org/5i94 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5i94 RCSB], [https://www.ebi.ac.uk/pdbsum/5i94 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5i94 ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutaminase Glutaminase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.2 3.5.1.2] </span></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=5i94 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i94 OCA], [~~http~~://pdbe.org/5i94 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5i94 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5i94 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5i94 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== 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;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Glutaminase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cerione, R]]	+	[[Category: Cerione R]]
-	[[Category: Huang, Q]]	+	[[Category: Huang Q]]
-	~~[[Category: Glutaminase c]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 11:46, 25 December 2019

OCA — Wed, 25 Dec 2019 11:46:47 GMT

←Older revision		Revision as of 11:46, 25 December 2019
Line 1:		Line 1:

	==Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019==		==Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019==
-	<StructureSection load='5i94' size='340' side='right' caption='[[5i94]], [[Resolution\|resolution]] 2.98Å' scene=''>	+	<StructureSection load='5i94' size='340' side='right'caption='[[5i94]], [[Resolution\|resolution]] 2.98Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5i94]] is a 4 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=5I94 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5I94 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5i94]] is a 4 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=5I94 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5I94 FirstGlance]. <br>
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 5i94" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5i94" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Glutaminase 3D structures\|Glutaminase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 27:		Line 30:
	[[Category: Glutaminase]]		[[Category: Glutaminase]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Cerione, R]]		[[Category: Cerione, R]]
	[[Category: Huang, Q]]		[[Category: Huang, Q]]

OCA at 17:36, 15 November 2017

OCA — Wed, 15 Nov 2017 17:36:30 GMT

←Older revision		Revision as of 17:36, 15 November 2017
Line 3:		Line 3:
	<StructureSection load='5i94' size='340' side='right' caption='[[5i94]], [[Resolution\|resolution]] 2.98Å' scene=''>		<StructureSection load='5i94' size='340' side='right' caption='[[5i94]], [[Resolution\|resolution]] 2.98Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5i94]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5I94 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5I94 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5i94]] is a 4 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=5I94 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5I94 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=69V:2-PHENYL-N-{5-[4-({5-[(PHENYLACETYL)AMINO]-1,3,4-THIADIAZOL-2-YL}OXY)PIPERIDIN-1-YL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE'>69V</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=69V:2-PHENYL-N-{5-[4-({5-[(PHENYLACETYL)AMINO]-1,3,4-THIADIAZOL-2-YL}OXY)PIPERIDIN-1-YL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE'>69V</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5fi2\|5fi2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5fi2\|5fi2]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLS, GLS1, KIAA0838 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutaminase Glutaminase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.2 3.5.1.2] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutaminase Glutaminase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.2 3.5.1.2] </span></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=5i94 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i94 OCA], [http://pdbe.org/5i94 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5i94 RCSB], [http://www.ebi.ac.uk/pdbsum/5i94 PDBsum]</span></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=5i94 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i94 OCA], [http://pdbe.org/5i94 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5i94 RCSB], [http://www.ebi.ac.uk/pdbsum/5i94 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5i94 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 25:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Glutaminase]]		[[Category: Glutaminase]]
		+	[[Category: Human]]
	[[Category: Cerione, R]]		[[Category: Cerione, R]]
	[[Category: Huang, Q]]		[[Category: Huang, Q]]

OCA at 16:55, 15 May 2016

OCA — Sun, 15 May 2016 16:55:09 GMT

←Older revision		Revision as of 16:55, 15 May 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5i94 is ~~ON HOLD~~	+	==Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019==
		+	<StructureSection load='5i94' size='340' side='right' caption='[[5i94]], [[Resolution\|resolution]] 2.98Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5i94]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5I94 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5I94 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=69V:2-PHENYL-N-{5-[4-({5-[(PHENYLACETYL)AMINO]-1,3,4-THIADIAZOL-2-YL}OXY)PIPERIDIN-1-YL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE'>69V</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5fi2\|5fi2]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutaminase Glutaminase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.2 3.5.1.2] </span></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=5i94 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i94 OCA], [http://pdbe.org/5i94 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5i94 RCSB], [http://www.ebi.ac.uk/pdbsum/5i94 PDBsum]</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.
		+	<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.

-	~~Authors: Huang~~, Q., Cerione, R.	+	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>

-	~~Description: Crystal structure~~ of ~~human glutaminase C in complex with~~ the ~~inhibitor UPGL-00019~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Huang, Q~~]]	+	<div class="pdbe-citations 5i94" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Glutaminase]]
	[[Category: Cerione, R]]		[[Category: Cerione, R]]
		+	[[Category: Huang, Q]]
		+	[[Category: Glutaminase c]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Inhibitor]]

OCA: Protected "5i94" [edit=sysop:move=sysop]

OCA — Wed, 02 Mar 2016 13:33:14 GMT

Protected "5i94" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:33, 2 March 2016

OCA: New page: '''Unreleased structure''' The entry 5i94 is ON HOLD Authors: Huang, Q., Cerione, R. Description: Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019 [[Ca...

OCA — Wed, 02 Mar 2016 13:33:12 GMT

New page: '''Unreleased structure''' The entry 5i94 is ON HOLD Authors: Huang, Q., Cerione, R. Description: Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019 [[Ca...

New page

'''Unreleased structure'''

The entry 5i94 is ON HOLD

Authors: Huang, Q., Cerione, R.

Description: Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019
[[Category: Unreleased Structures]]
[[Category: Huang, Q]]
[[Category: Cerione, R]]