6n5g - Revision history

OCA at 06:45, 11 October 2023

2023-10-11T06:45:23Z

←Older revision		Revision as of 06:45, 11 October 2023
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	<StructureSection load='6n5g' size='340' side='right'caption='[[6n5g]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='6n5g' size='340' side='right'caption='[[6n5g]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6n5g]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Trichoderma_reesei_qm9414~~ Trichoderma reesei ~~qm9414~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N5G OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6N5G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6n5g]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Trichoderma_reesei_QM9414 Trichoderma reesei QM9414]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N5G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6N5G FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KDS:4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide'>KDS</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]] 2.6Å</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=6n5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n5g OCA], [~~http~~://pdbe.org/6n5g PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6n5g RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6n5g PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6n5g ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=KDS:4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide'>KDS</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=6n5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n5g OCA], [https://pdbe.org/6n5g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6n5g RCSB], [https://www.ebi.ac.uk/pdbsum/6n5g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6n5g ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/G0R7E2_HYPJQ G0R7E2_HYPJQ]
	<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 6n5g" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6n5g" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Epoxide hydrolase 3D structures\|Epoxide hydrolase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Trichoderma reesei ~~qm9414~~]]	+	[[Category: Trichoderma reesei QM9414]]
-	[[Category: Adriani~~, P P~~]]	+	[[Category: Adriani PP]]
-	[[Category: Chambergo~~, F S~~]]	+	[[Category: Chambergo FS]]
-	[[Category: Dias~~, M V~~]]	+	[[Category: Dias MV]]
-	[[Category: Hammock~~, B D~~]]	+	[[Category: Hammock BD]]
-	[[Category: Morisseau, C]]	+	[[Category: Morisseau C]]
-	[[Category: Oliveira~~, G S~~]]	+	[[Category: Oliveira GS]]
-	[[Category: Ribeiro~~, J A]]~~	+	[[Category: Ribeiro JA]]
-	~~[[Category: Epoxide hydrolase]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-inhibitor complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Trichoderma reesei~~]]	+

OCA at 11:19, 18 December 2019

2019-12-18T11:19:45Z

←Older revision		Revision as of 11:19, 18 December 2019
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	<StructureSection load='6n5g' size='340' side='right'caption='[[6n5g]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='6n5g' size='340' side='right'caption='[[6n5g]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6n5g]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N5G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6N5G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6n5g]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Trichoderma_reesei_qm9414 Trichoderma reesei qm9414]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N5G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6N5G FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KDS:4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide'>KDS</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KDS:4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide'>KDS</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=6n5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n5g OCA], [http://pdbe.org/6n5g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6n5g RCSB], [http://www.ebi.ac.uk/pdbsum/6n5g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6n5g ProSAT]</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=6n5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n5g OCA], [http://pdbe.org/6n5g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6n5g RCSB], [http://www.ebi.ac.uk/pdbsum/6n5g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6n5g ProSAT]</span></td></tr>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Trichoderma reesei qm9414]]
	[[Category: Adriani, P P]]		[[Category: Adriani, P P]]
	[[Category: Chambergo, F S]]		[[Category: Chambergo, F S]]

OCA at 15:25, 20 November 2019

2019-11-20T15:25:49Z

←Older revision		Revision as of 15:25, 20 November 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6n5g is ~~ON HOLD~~	+	==Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2==
		+	<StructureSection load='6n5g' size='340' side='right'caption='[[6n5g]], [[Resolution\|resolution]] 2.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6n5g]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N5G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6N5G FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KDS:4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide'>KDS</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=6n5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n5g OCA], [http://pdbe.org/6n5g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6n5g RCSB], [http://www.ebi.ac.uk/pdbsum/6n5g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6n5g ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Epoxide hydrolases (EHs) are enzymes involved in the metabolism of endogenous and exogenous epoxides, and the development of EH inhibitors has important applications in the medicine. In humans, EH inhibitors are being tested in the treatment of cardiovascular diseases and show potent anti-inflammatory effects. EH inhibitors are also considerate promising molecules against infectious diseases. EHs are functionally very well studied, but only a few members have its three-dimensional structures characterized. Recently, a new EH from the filamentous fungi Trichoderma reseei (TrEH) was reported, and a series of urea or amide-based inhibitors were identified. In this study, we describe the crystallographic structures of TrEH in complex with five different urea or amide-based inhibitors with resolutions ranging from 2.6 to 1.7A. The analysis of these structures reveals the molecular basis of the inhibition of these compounds. We could also observe that these inhibitors occupy the whole extension of the active site groove and only a few conformational changes are involved. Understanding the structural basis EH interactions with different inhibitors might substantially contribute for the study of fungal metabolism and in the development of novel and more efficient antifungal drugs against pathogenic Trichoderma species.

-	~~Authors:~~ Oliveira~~, G.S.~~, Adriani~~, P.P.~~, Ribeiro~~, J.A.~~, Morisseau, C., Hammock~~, B.D.~~, Dias, M.V., ~~Chambergo, F~~.S.	+	The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.,de Oliveira GS, Adriani PP, Ribeiro JA, Morisseau C, Hammock BD, Dias MVB, Chambergo FS Int J Biol Macromol. 2019 May 15;129:653-658. doi:, 10.1016/j.ijbiomac.2019.02.070. Epub 2019 Feb 13. PMID:30771398<ref>PMID:30771398</ref>

-	~~Description: Crystal structure~~ of ~~an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Oliveira~~, G.S]]	+	<div class="pdbe-citations 6n5g" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Ribeiro~~, ~~J.A~~]]	+	== References ==
-	[[Category: ~~Chambergo~~, ~~F.S~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Adriani, P P]]
		+	[[Category: Chambergo, F S]]
		+	[[Category: Dias, M V]]
		+	[[Category: Hammock, B D]]
	[[Category: Morisseau, C]]		[[Category: Morisseau, C]]
-	[[Category: ~~Adriani~~, ~~P.P~~]]	+	[[Category: Oliveira, G S]]
-	[[Category: ~~Dias~~, ~~M.V~~]]	+	[[Category: Ribeiro, J A]]
-	[[Category: ~~Hammock, B.D~~]]	+	[[Category: Epoxide hydrolase]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase-inhibitor complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Trichoderma reesei]]

OCA at 09:20, 13 November 2019

2019-11-13T09:20:28Z

←Older revision		Revision as of 09:20, 13 November 2019
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	The entry 6n5g is ON HOLD		The entry 6n5g is ON HOLD

-	Authors: Oliveira, G.S., Dias, M.V., Chambergo, F.S.	+	Authors: Oliveira, G.S., Adriani, P.P., Ribeiro, J.A., Morisseau, C., Hammock, B.D., Dias, M.V., Chambergo, F.S.

-	Description: Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with 2	+	Description: Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Oliveira, G.S]]		[[Category: Oliveira, G.S]]
		+	[[Category: Ribeiro, J.A]]
	[[Category: Chambergo, F.S]]		[[Category: Chambergo, F.S]]
		+	[[Category: Morisseau, C]]
		+	[[Category: Adriani, P.P]]
	[[Category: Dias, M.V]]		[[Category: Dias, M.V]]
		+	[[Category: Hammock, B.D]]

OCA: Protected "6n5g" [edit=sysop:move=sysop]

2018-12-02T19:18:39Z

Protected "6n5g" [edit=sysop:move=sysop]

←Older revision

Revision as of 19:18, 2 December 2018

OCA: New page: '''Unreleased structure''' The entry 6n5g is ON HOLD Authors: Oliveira, G.S., Dias, M.V., Chambergo, F.S. Description: Crystal structure of an epoxide hydrolase from Trichoderma reesei...

2018-12-02T19:18:37Z

New page: '''Unreleased structure''' The entry 6n5g is ON HOLD Authors: Oliveira, G.S., Dias, M.V., Chambergo, F.S. Description: Crystal structure of an epoxide hydrolase from Trichoderma reesei...

New page

'''Unreleased structure'''

The entry 6n5g is ON HOLD

Authors: Oliveira, G.S., Dias, M.V., Chambergo, F.S.

Description: Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with 2
[[Category: Unreleased Structures]]
[[Category: Oliveira, G.S]]
[[Category: Chambergo, F.S]]
[[Category: Dias, M.V]]