7qpn - Revision history

OCA at 13:20, 1 February 2024

2024-02-01T13:20:51Z

←Older revision		Revision as of 13:20, 1 February 2024
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	<StructureSection load='7qpn' size='340' side='right'caption='[[7qpn]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='7qpn' size='340' side='right'caption='[[7qpn]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7qpn]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QPN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7qpn]] 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=7QPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QPN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=DVF:5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine'>DVF</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]] 1.95Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7qie\|7qie]]</div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=DVF:5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine'>DVF</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=7qpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qpn OCA], [https://pdbe.org/7qpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qpn RCSB], [https://www.ebi.ac.uk/pdbsum/7qpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qpn 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=7qpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qpn OCA], [https://pdbe.org/7qpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qpn RCSB], [https://www.ebi.ac.uk/pdbsum/7qpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qpn ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/PI42C_HUMAN PI42C_HUMAN] May play an important role in the production of Phosphatidylinositol bisphosphate (PIP2), in the endoplasmic reticulum.
	<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: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Howard~~, T D~~]]	+	[[Category: Howard TD]]
-	[[Category: Ogg~~, D T]]~~	+	[[Category: Ogg DT]]
-	~~[[Category: Allosteric binding]]~~	+
-	~~[[Category: Lipid kinase]]~~	+
-	~~[[Category: Non-atp-competitive inhibitor]]~~	+
-	~~[[Category: Phosphatidylinositol 5-phosphate]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 06:38, 18 August 2022

2022-08-18T06:38:58Z

←Older revision		Revision as of 06:38, 18 August 2022
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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=7qpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qpn OCA], [https://pdbe.org/7qpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qpn RCSB], [https://www.ebi.ac.uk/pdbsum/7qpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qpn 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=7qpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qpn OCA], [https://pdbe.org/7qpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qpn RCSB], [https://www.ebi.ac.uk/pdbsum/7qpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qpn ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Phosphatidylinositol 5-phosphate 4-kinases (PI5P4Ks) are emerging as attractive therapeutic targets in diseases, such as cancer, immunological disorders, and neurodegeneration, owing to their central role in regulating cell signaling pathways that are either dysfunctional or can be modulated to promote cell survival. Different modes of binding may enhance inhibitor selectivity and reduce off-target effects in cells. Here, we describe efforts to improve the physicochemical properties of the selective PI5P4Kgamma inhibitor, NIH-12848 (1). These improvements enabled the demonstration that this chemotype engages PI5P4Kgamma in intact cells and that compounds from this series do not inhibit PI5P4Kalpha or PI5P4Kbeta. Furthermore, the first X-ray structure of PI5P4Kgamma bound to an inhibitor has been determined with this chemotype, confirming an allosteric binding mode. An exemplar from this chemical series adopted two distinct modes of inhibition, including through binding to a putative lipid interaction site which is 18 A from the ATP pocket.
		+
		+	Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase gamma Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode.,Boffey HK, Rooney TPC, Willems HMG, Edwards S, Green C, Howard T, Ogg D, Romero T, Scott DE, Winpenny D, Duce J, Skidmore J, Clarke JH, Andrews SP J Med Chem. 2022 Feb 24;65(4):3359-3370. doi: 10.1021/acs.jmedchem.1c01819. Epub , 2022 Feb 11. PMID:35148092<ref>PMID:35148092</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7qpn" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 05:09, 10 August 2022

2022-08-10T05:09:43Z

←Older revision		Revision as of 05:09, 10 August 2022
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	==Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP==		==Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP==
-	<StructureSection load='7qpn' size='340' side='right'caption='[[7qpn]]' scene=''>	+	<StructureSection load='7qpn' size='340' side='right'caption='[[7qpn]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QPN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7qpn]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QPN FirstGlance]. <br>
-	</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=7qpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qpn OCA], [https://pdbe.org/7qpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qpn RCSB], [https://www.ebi.ac.uk/pdbsum/7qpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qpn ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=DVF:5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine'>DVF</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7qie\|7qie]]</div></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=7qpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qpn OCA], [https://pdbe.org/7qpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qpn RCSB], [https://www.ebi.ac.uk/pdbsum/7qpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qpn ProSAT]</span></td></tr>
	</table>		</table>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Howard TD]]	+	[[Category: Howard, T D]]
-	[[Category: Ogg DT]]	+	[[Category: Ogg, D T]]
		+	[[Category: Allosteric binding]]
		+	[[Category: Lipid kinase]]
		+	[[Category: Non-atp-competitive inhibitor]]
		+	[[Category: Phosphatidylinositol 5-phosphate]]
		+	[[Category: Transferase]]

OCA at 10:15, 18 May 2022

2022-05-18T10:15:52Z

←Older revision		Revision as of 10:15, 18 May 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7qpn ~~is ON HOLD until Paper Publication~~	+	==Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP==
-		+	<StructureSection load='7qpn' size='340' side='right'caption='[[7qpn]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QPN FirstGlance]. <br>
-	~~Description~~:	+	</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=7qpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qpn OCA], [https://pdbe.org/7qpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qpn RCSB], [https://www.ebi.ac.uk/pdbsum/7qpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qpn ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Howard TD]]
		+	[[Category: Ogg DT]]

OCA at 05:25, 2 February 2022

2022-02-02T05:25:25Z

←Older revision		Revision as of 05:25, 2 February 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7qpn is ON HOLD	+	The entry 7qpn is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7qpn" [edit=sysop:move=sysop]

2022-01-12T08:31:37Z

Protected "7qpn" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:31, 12 January 2022

OCA: New page: '''Unreleased structure''' The entry 7qpn is ON HOLD Authors: Description: Category: Unreleased Structures

2022-01-12T08:31:36Z

New page: '''Unreleased structure''' The entry 7qpn is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7qpn is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]