OCA at 06:33, 19 February 2020

2020-02-19T06:33:02Z

←Older revision		Revision as of 06:33, 19 February 2020
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-	'''Unreleased structure'''

-	The ~~entry~~ 6s4k is ~~ON HOLD until Paper~~ Publication	+	==The crystal structure of glycogen phosphorylase in complex with 12==
		+	<StructureSection load='6s4k' size='340' side='right'caption='[[6s4k]], [[Resolution\|resolution]] 2.43Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6s4k]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6S4K OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6S4K FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KVW:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol'>KVW</scene>, <scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Phosphorylase Phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.1.1 2.4.1.1] </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=6s4k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6s4k OCA], [http://pdbe.org/6s4k PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6s4k RCSB], [http://www.ebi.ac.uk/pdbsum/6s4k PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6s4k ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PYGM_RABIT PYGM_RABIT]] Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known phosphorylases share catalytic and structural properties.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	C-Glucopyranosyl imidazoles, thiazoles, and an N-glucopyranosyl tetrazole were assessed in vitro and ex vivo for their inhibitory efficiency against isoforms of glycogen phosphorylase (GP; a validated pharmacological target for the development of anti-hyperglycaemic agents). Imidazoles proved to be more potent inhibitors than the corresponding thiazoles or the tetrazole. The most potent derivative has a 2-naphthyl substituent, a Ki value of 3.2 microM for hepatic glycogen phosphorylase, displaying also 60% inhibition of GP activity in HepG2 cells, compared to control vehicle treated cells, at 100 muM. X-Ray crystallography studies of the protein - inhibitor complexes revealed the importance of the architecture of inhibitor associated hydrogen bonds or sulfur sigma-hole bond interactions to Asn284 OD1, offering new insights to structure-based design efforts. Moreover, while the 2-glucopyranosyl-tetrazole seems to bind differently from the corresponding 1,2,3-triazole compound, the two inhibitors are equipotent.

-	~~Authors: Kyriakis~~, E., ~~Solovou~~, ~~T.G.A.~~, Papaioannou, O~~.S.E.~~, Skamnaki, ~~V.T.~~, ~~Leonidas~~, D.D.	+	The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.,Kyriakis E, Karra AG, Papaioannou O, Solovou T, Skamnaki VT, Liggri PGV, Zographos SE, Szennyes E, Bokor E, Kun S, Psarra AG, Somsak L, Leonidas DD Bioorg Med Chem. 2020 Jan 1;28(1):115196. doi: 10.1016/j.bmc.2019.115196. Epub, 2019 Nov 14. PMID:31767404<ref>PMID:31767404</ref>

-	~~Description: The crystal structure~~ of ~~glycogen phosphorylase in complex with 12~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6s4k" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Oryctolagus cuniculus]]
		+	[[Category: Phosphorylase]]
	[[Category: Kyriakis, E]]		[[Category: Kyriakis, E]]
-	[[Category: Skamnaki, V.T]]	+	[[Category: Leonidas, D D]]
-	[[Category: Solovou, T.G.A]]	+	[[Category: Papaioannou, O S.E]]
-	[[Category: ~~Papaioannou, O.S.E~~]]	+	[[Category: Skamnaki, V T]]
-	[[Category: ~~Leonidas, D.D~~]]	+	[[Category: Solovou, T G.A]]
		+	[[Category: C-beta-d-glucopyranosyl thiazole]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transferase]]

OCA at 04:39, 24 July 2019

2019-07-24T04:39:30Z

←Older revision		Revision as of 04:39, 24 July 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6s4k is ON HOLD	+	The entry 6s4k is ON HOLD until Paper Publication

	Authors: Kyriakis, E., Solovou, T.G.A., Papaioannou, O.S.E., Skamnaki, V.T., Leonidas, D.D.		Authors: Kyriakis, E., Solovou, T.G.A., Papaioannou, O.S.E., Skamnaki, V.T., Leonidas, D.D.

OCA: Protected "6s4k" [edit=sysop:move=sysop]

2019-07-10T04:23:04Z

Protected "6s4k" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:23, 10 July 2019

OCA: New page: '''Unreleased structure''' The entry 6s4k is ON HOLD Authors: Kyriakis, E., Solovou, T.G.A., Papaioannou, O.S.E., Skamnaki, V.T., Leonidas, D.D. Description: The crystal structure of g...

2019-07-10T04:23:03Z

New page: '''Unreleased structure''' The entry 6s4k is ON HOLD Authors: Kyriakis, E., Solovou, T.G.A., Papaioannou, O.S.E., Skamnaki, V.T., Leonidas, D.D. Description: The crystal structure of g...

New page

'''Unreleased structure'''

The entry 6s4k is ON HOLD

Authors: Kyriakis, E., Solovou, T.G.A., Papaioannou, O.S.E., Skamnaki, V.T., Leonidas, D.D.

Description: The crystal structure of glycogen phosphorylase in complex with 12
[[Category: Unreleased Structures]]
[[Category: Kyriakis, E]]
[[Category: Skamnaki, V.T]]
[[Category: Solovou, T.G.A]]
[[Category: Papaioannou, O.S.E]]
[[Category: Leonidas, D.D]]

6s4k - Revision history

OCA at 06:33, 19 February 2020

OCA at 04:39, 24 July 2019

OCA: Protected "6s4k" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6s4k is ON HOLD Authors: Kyriakis, E., Solovou, T.G.A., Papaioannou, O.S.E., Skamnaki, V.T., Leonidas, D.D. Description: The crystal structure of g...