7zgb - Revision history

OCA at 08:03, 7 February 2024

OCA — Wed, 07 Feb 2024 08:03:34 GMT

←Older revision		Revision as of 08:03, 7 February 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7zgb]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae_S288C Saccharomyces cerevisiae S288C]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ZGB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZGB FirstGlance]. <br>		<table><tr><td colspan='2'>[[7zgb]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae_S288C Saccharomyces cerevisiae S288C]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ZGB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZGB FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IUJ:4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide'>IUJ</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]] 2.7Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IUJ:4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide'>IUJ</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=7zgb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zgb OCA], [https://pdbe.org/7zgb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zgb RCSB], [https://www.ebi.ac.uk/pdbsum/7zgb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zgb 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=7zgb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zgb OCA], [https://pdbe.org/7zgb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zgb RCSB], [https://www.ebi.ac.uk/pdbsum/7zgb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zgb ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/SEC14_YEAST SEC14_YEAST] Required for transport of secretory proteins from the Golgi complex. Catalyzes the transfer of phosphatidylinositol and phosphatidylcholine between membranes in vitro. Essential for viability and secretion.		[https://www.uniprot.org/uniprot/SEC14_YEAST SEC14_YEAST] Required for transport of secretory proteins from the Golgi complex. Catalyzes the transfer of phosphatidylinositol and phosphatidylcholine between membranes in vitro. Essential for viability and secretion.
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Phosphatidylinositol (PtdIns) transfer proteins (PITPs) enhance the activities of PtdIns 4-OH kinases that generate signaling pools of PtdIns-4-phosphate. In that capacity, PITPs serve as key regulators of lipid signaling in eukaryotic cells. Although the PITP phospholipid exchange cycle is the engine that stimulates PtdIns 4-OH kinase activities, the underlying mechanism is not understood. Herein, we apply an integrative structural biology approach to investigate interactions of the yeast PITP Sec14 with small-molecule inhibitors (SMIs) of its phospholipid exchange cycle. Using a combination of X-ray crystallography, solution NMR spectroscopy, and atomistic MD simulations, we dissect how SMIs compete with native Sec14 phospholipid ligands and arrest phospholipid exchange. Moreover, as Sec14 PITPs represent new targets for the development of next-generation antifungal drugs, the structures of Sec14 bound to SMIs of diverse chemotypes reported in this study will provide critical information required for future structure-based design of next-generation lead compounds directed against Sec14 PITPs of virulent fungi.
-
-	Mechanisms by Which Small Molecules of Diverse Chemotypes Arrest Sec14 Lipid Transfer Activity.,Chen XR, Poudel L, Hong Z, Johnen P, Katti S, Tripathi A, Nile AH, Green SM, Khan D, Schaaf G, Bono F, Bankaitis VA, Igumenova TI J Biol Chem. 2023 Jan 2:102861. doi: 10.1016/j.jbc.2022.102861. PMID:36603766<ref>PMID:36603766</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 7zgb" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:34, 25 January 2023

OCA — Wed, 25 Jan 2023 06:34:10 GMT

←Older revision		Revision as of 06:34, 25 January 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7zgb is ~~ON HOLD until Paper~~ Publication	+	==Structure of yeast Sec14p with NPPM112==
		+	<StructureSection load='7zgb' size='340' side='right'caption='[[7zgb]], [[Resolution\|resolution]] 2.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7zgb]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae_S288C Saccharomyces cerevisiae S288C]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ZGB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZGB FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IUJ:4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide'>IUJ</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=7zgb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zgb OCA], [https://pdbe.org/7zgb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zgb RCSB], [https://www.ebi.ac.uk/pdbsum/7zgb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zgb ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/SEC14_YEAST SEC14_YEAST] Required for transport of secretory proteins from the Golgi complex. Catalyzes the transfer of phosphatidylinositol and phosphatidylcholine between membranes in vitro. Essential for viability and secretion.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Phosphatidylinositol (PtdIns) transfer proteins (PITPs) enhance the activities of PtdIns 4-OH kinases that generate signaling pools of PtdIns-4-phosphate. In that capacity, PITPs serve as key regulators of lipid signaling in eukaryotic cells. Although the PITP phospholipid exchange cycle is the engine that stimulates PtdIns 4-OH kinase activities, the underlying mechanism is not understood. Herein, we apply an integrative structural biology approach to investigate interactions of the yeast PITP Sec14 with small-molecule inhibitors (SMIs) of its phospholipid exchange cycle. Using a combination of X-ray crystallography, solution NMR spectroscopy, and atomistic MD simulations, we dissect how SMIs compete with native Sec14 phospholipid ligands and arrest phospholipid exchange. Moreover, as Sec14 PITPs represent new targets for the development of next-generation antifungal drugs, the structures of Sec14 bound to SMIs of diverse chemotypes reported in this study will provide critical information required for future structure-based design of next-generation lead compounds directed against Sec14 PITPs of virulent fungi.

-	~~Authors: Hong~~, Z., Johnen, P., ~~Schaaf~~, G., Bono, F.	+	Mechanisms by Which Small Molecules of Diverse Chemotypes Arrest Sec14 Lipid Transfer Activity.,Chen XR, Poudel L, Hong Z, Johnen P, Katti S, Tripathi A, Nile AH, Green SM, Khan D, Schaaf G, Bono F, Bankaitis VA, Igumenova TI J Biol Chem. 2023 Jan 2:102861. doi: 10.1016/j.jbc.2022.102861. PMID:36603766<ref>PMID:36603766</ref>

-	~~Description: Structure~~ of ~~yeast Sec14p with NPPM112~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Bono, F~~]]	+	<div class="pdbe-citations 7zgb" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Schaaf, G~~]]	+	== References ==
-	[[Category: Hong, Z]]	+	<references/>
-	[[Category: Johnen, P]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Saccharomyces cerevisiae S288C]]
		+	[[Category: Bono F]]
		+	[[Category: Hong Z]]
		+	[[Category: Johnen P]]
		+	[[Category: Schaaf G]]

OCA at 04:04, 13 July 2022

OCA — Wed, 13 Jul 2022 04:04:17 GMT

←Older revision		Revision as of 04:04, 13 July 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F.		Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F.

OCA at 04:01, 15 June 2022

OCA — Wed, 15 Jun 2022 04:01:49 GMT

←Older revision		Revision as of 04:01, 15 June 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7zgb is ON HOLD ~~until Paper Publication~~	+	The entry 7zgb is ON HOLD

	Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F.		Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F.

OCA at 05:03, 12 May 2022

OCA — Thu, 12 May 2022 05:03:53 GMT

←Older revision		Revision as of 05:03, 12 May 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F.		Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F.

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

OCA — Wed, 13 Apr 2022 08:47:43 GMT

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

←Older revision

Revision as of 08:47, 13 April 2022

OCA: New page: '''Unreleased structure''' The entry 7zgb is ON HOLD Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F. Description: Structure of yeast Sec14p with NPPM112 [[Category: Unreleased Stru...

OCA — Wed, 13 Apr 2022 08:47:42 GMT

New page: '''Unreleased structure''' The entry 7zgb is ON HOLD Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F. Description: Structure of yeast Sec14p with NPPM112 [[Category: Unreleased Stru...

New page

'''Unreleased structure'''

The entry 7zgb is ON HOLD

Authors: Hong, Z., Johnen, P., Schaaf, G., Bono, F.

Description: Structure of yeast Sec14p with NPPM112
[[Category: Unreleased Structures]]
[[Category: Bono, F]]
[[Category: Schaaf, G]]
[[Category: Hong, Z]]
[[Category: Johnen, P]]