5fi6 - Revision history

OCA at 12:31, 6 March 2024

OCA — Wed, 06 Mar 2024 12:31:18 GMT

←Older revision		Revision as of 12:31, 6 March 2024
Line 10:		Line 10:
	== Function ==		== Function ==
	[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.		[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>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 5fi6" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Glutaminase 3D structures\|Glutaminase 3D structures]]		*[[Glutaminase 3D structures\|Glutaminase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:51, 19 July 2023

OCA — Wed, 19 Jul 2023 06:51:59 GMT

←Older revision		Revision as of 06:51, 19 July 2023
Line 3:		Line 3:
	<StructureSection load='5fi6' size='340' side='right'caption='[[5fi6]], [[Resolution\|resolution]] 2.52Å' scene=''>		<StructureSection load='5fi6' size='340' side='right'caption='[[5fi6]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fi6]] 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=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]] 2.52Å</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], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5fi6 ProSAT]</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>		</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 ==
Line 26:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cerione, R]]	+	[[Category: Cerione R]]
-	[[Category: Huang, Q]]	+	[[Category: Huang Q]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Glutaminase c]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 11:38, 25 December 2019

OCA — Wed, 25 Dec 2019 11:38:41 GMT

←Older revision		Revision as of 11:38, 25 December 2019
Line 1:		Line 1:

	==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==		==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]] 2.52Å' scene=''>	+	<StructureSection load='5fi6' size='340' side='right'caption='[[5fi6]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5fi6]] 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=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 [http://en.wikipedia.org/wiki/Human Human]. 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>
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5fi6" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5fi6" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Glutaminase 3D structures\|Glutaminase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 24:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Cerione, R]]		[[Category: Cerione, R]]
	[[Category: Huang, Q]]		[[Category: Huang, Q]]

OCA at 17:17, 15 November 2017

OCA — Wed, 15 Nov 2017 17:17:07 GMT

←Older revision		Revision as of 17:17, 15 November 2017
Line 3:		Line 3:
	<StructureSection load='5fi6' size='340' side='right' caption='[[5fi6]], [[Resolution\|resolution]] 2.52Å' scene=''>		<StructureSection load='5fi6' size='340' side='right' caption='[[5fi6]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== 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 [http://en.wikipedia.org/wiki/Human Human]. 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>
	</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='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>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5fi2\|5fi2]], [[5fi7\|5fi7]]</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='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'>[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], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fi6 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[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 16:55:43 GMT

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

-	~~The entry~~ 5fi6 is ~~ON HOLD until Paper~~ Publication	+	==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]] 2.52Å' 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>
		+	</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>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5fi2\|5fi2]], [[5fi7\|5fi7]]</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>
		+	</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:~~	+	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 5fi6" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Cerione, R]]		[[Category: Cerione, R]]
		+	[[Category: Huang, Q]]
		+	[[Category: Complex]]
		+	[[Category: Glutaminase c]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Inhibitor]]

OCA at 13:04, 3 February 2016

OCA — Wed, 03 Feb 2016 13:04:33 GMT

←Older revision		Revision as of 13:04, 3 February 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5fi6 is ON HOLD	+	The entry 5fi6 is ON HOLD until Paper Publication

	Authors: Huang, Q., Cerione, R.		Authors: Huang, Q., Cerione, R.

-	Description: ~~Crystal structure of human GAC in complex with inhibitor UPGL_00011~~	+	Description:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Huang, Q]]		[[Category: Huang, Q]]
	[[Category: Cerione, R]]		[[Category: Cerione, R]]

OCA at 11:05, 7 January 2016

OCA — Thu, 07 Jan 2016 11:05:48 GMT

←Older revision		Revision as of 11:05, 7 January 2016
Line 3:		Line 3:
	The entry 5fi6 is ON HOLD		The entry 5fi6 is ON HOLD

-	Authors: ~~Qingqiu~~ Huang, ~~Richard~~ Cerione	+	Authors: Huang, Q., Cerione, R.

	Description: Crystal structure of human GAC in complex with inhibitor UPGL_00011		Description: Crystal structure of human GAC in complex with inhibitor UPGL_00011
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: ~~Qingqiu~~ Huang, ~~Richard~~ Cerione]]	+	[[Category: Huang, Q]]
		+	[[Category: Cerione, R]]

OCA: Protected "5fi6" [edit=sysop:move=sysop]

OCA — Wed, 30 Dec 2015 18:00:48 GMT

Protected "5fi6" [edit=sysop:move=sysop]

←Older revision

Revision as of 18:00, 30 December 2015

OCA: New page: '''Unreleased structure''' The entry 5fi6 is ON HOLD Authors: Qingqiu Huang, Richard Cerione Description: Crystal structure of human GAC in complex with inhibitor UPGL_00011 [[Category...

OCA — Wed, 30 Dec 2015 18:00:47 GMT

New page: '''Unreleased structure''' The entry 5fi6 is ON HOLD Authors: Qingqiu Huang, Richard Cerione Description: Crystal structure of human GAC in complex with inhibitor UPGL_00011 [[Category...

New page

'''Unreleased structure'''

The entry 5fi6 is ON HOLD

Authors: Qingqiu Huang, Richard Cerione

Description: Crystal structure of human GAC in complex with inhibitor UPGL_00011
[[Category: Unreleased Structures]]
[[Category: Qingqiu Huang, Richard Cerione]]