7pe6 - Revision history

OCA at 13:04, 1 February 2024

2024-02-01T13:04:33Z

←Older revision		Revision as of 13:04, 1 February 2024
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	<StructureSection load='7pe6' size='340' side='right'caption='[[7pe6]], [[Resolution\|resolution]] 2.01Å' scene=''>		<StructureSection load='7pe6' size='340' side='right'caption='[[7pe6]], [[Resolution\|resolution]] 2.01Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7pe6]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PE6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7pe6]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Lymnaea_stagnalis Lymnaea stagnalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PE6 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7OF:(~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide'>7OF</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]] 2.01Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7OF:(~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide'>7OF</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=7pe6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pe6 OCA], [https://pdbe.org/7pe6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pe6 RCSB], [https://www.ebi.ac.uk/pdbsum/7pe6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pe6 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=7pe6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pe6 OCA], [https://pdbe.org/7pe6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pe6 RCSB], [https://www.ebi.ac.uk/pdbsum/7pe6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pe6 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/ACHP_LYMST ACHP_LYMST]] Binds to acetylcholine. Modulates neuronal synaptic transmission.	+	[https://www.uniprot.org/uniprot/ACHP_LYMST ACHP_LYMST] Binds to acetylcholine. Modulates neuronal synaptic transmission.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 7pe6" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7pe6" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acetylcholine binding protein 3D structures\|Acetylcholine binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Montgomery, M G~~]]	+	[[Category: Lymnaea stagnalis]]
-	[[Category: ~~Acetylcholine]]~~	+	[[Category: Montgomery MG]]
-	~~[[Category: Insecticide]]~~	+
-	~~[[Category: Protein]]~~	+
-	~~[[Category: Signaling protein~~]]	+

OCA at 08:42, 23 February 2022

2022-02-23T08:42:56Z

←Older revision		Revision as of 08:42, 23 February 2022
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	==Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin==		==Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin==
-	<StructureSection load='7pe6' size='340' side='right'caption='[[7pe6]]' scene=''>	+	<StructureSection load='7pe6' size='340' side='right'caption='[[7pe6]], [[Resolution\|resolution]] 2.01Å' 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=7PE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PE6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7pe6]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PE6 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=7pe6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pe6 OCA], [https://pdbe.org/7pe6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pe6 RCSB], [https://www.ebi.ac.uk/pdbsum/7pe6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pe6 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=7OF:(~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide'>7OF</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=7pe6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pe6 OCA], [https://pdbe.org/7pe6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pe6 RCSB], [https://www.ebi.ac.uk/pdbsum/7pe6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pe6 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/ACHP_LYMST ACHP_LYMST]] Binds to acetylcholine. Modulates neuronal synaptic transmission.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The development of novel and safe insecticides remains an important need for a growing world population to protect crops and animal and human health. New chemotypes modulating the insect nicotinic acetylcholine receptors have been recently brought to the agricultural market, yet with limited understanding of their molecular interactions at their target receptor. Herein, we disclose the first crystal structures of these insecticides, namely, sulfoxaflor, flupyradifurone, triflumezopyrim, flupyrimin, and the experimental compound, dicloromezotiaz, in a double-mutated acetylcholine-binding protein which mimics the insect-ion-channel orthosteric site. Enabled by these findings, we discovered novel pharmacophores with a related mode of action, and we describe herein their design, synthesis, and biological evaluation.
		+
		+	Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.,Montgomery M, Rendine S, Zimmer CT, Elias J, Schaetzer J, Pitterna T, Benfatti F, Skaljac M, Bigot A J Med Chem. 2022 Jan 5. doi: 10.1021/acs.jmedchem.1c01767. PMID:34986308<ref>PMID:34986308</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7pe6" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Montgomery MG]]	+	[[Category: Montgomery, M G]]
		+	[[Category: Acetylcholine]]
		+	[[Category: Insecticide]]
		+	[[Category: Protein]]
		+	[[Category: Signaling protein]]

OCA at 07:01, 2 February 2022

2022-02-02T07:01:43Z

←Older revision		Revision as of 07:01, 2 February 2022
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-	'''Unreleased structure'''

-	~~The entry 7pe6 is ON HOLD until Paper Publication~~	+	==Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin==
-		+	<StructureSection load='7pe6' size='340' side='right'caption='[[7pe6]]' scene=''>
-	~~Authors: Montgomery, M.G.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PE6 FirstGlance]. <br>
-	~~Description:~~ Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin	+	</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=7pe6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pe6 OCA], [https://pdbe.org/7pe6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pe6 RCSB], [https://www.ebi.ac.uk/pdbsum/7pe6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pe6 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Montgomery~~, M.G~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Montgomery MG]]

OCA at 07:29, 8 September 2021

2021-09-08T07:29:39Z

←Older revision		Revision as of 07:29, 8 September 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7pe6 is ON HOLD	+	The entry 7pe6 is ON HOLD until Paper Publication

	Authors: Montgomery, M.G.		Authors: Montgomery, M.G.

OCA: Protected "7pe6" [edit=sysop:move=sysop]

2021-08-18T05:01:55Z

Protected "7pe6" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:01, 18 August 2021

OCA: New page: '''Unreleased structure''' The entry 7pe6 is ON HOLD Authors: Montgomery, M.G. Description: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V d...

2021-08-18T05:01:54Z

New page: '''Unreleased structure''' The entry 7pe6 is ON HOLD Authors: Montgomery, M.G. Description: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V d...

New page

'''Unreleased structure'''

The entry 7pe6 is ON HOLD

Authors: Montgomery, M.G.

Description: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin
[[Category: Unreleased Structures]]
[[Category: Montgomery, M.G]]