5hka - Revision history

OCA at 07:39, 9 August 2023

OCA — Wed, 09 Aug 2023 07:39:49 GMT

←Older revision		Revision as of 07:39, 9 August 2023
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	<StructureSection load='5hka' size='340' side='right'caption='[[5hka]], [[Resolution\|resolution]] 2.05Å' scene=''>		<StructureSection load='5hka' size='340' side='right'caption='[[5hka]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5hka]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Pseab Pseab~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HKA OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5HKA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5hka]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_UCBPP-PA14 Pseudomonas aeruginosa UCBPP-PA14]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HKA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5HKA FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=64N:5~~-[~~2,6-DICHLORO-4-(PROPANOYLAMINO)PHENOXY~~]-2~~-HYDROXYBIPHENYL-4-CARBOXAMIDE'>64N</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]] 2.05Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[3kd2\|3kd2]], [[4yx9\|4yx9]], [[5hkb\|5hkb]], [[5hk9\|5hk9]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=64N:5-[2,6-DICHLORO-4-(PROPANOYLAMINO)PHENOXY]-2-HYDROXYBIPHENYL-4-CARBOXAMIDE'>64N</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><b>[~~[Gene\|Gene:~~]~~]</b~~></td>~~<td class="sblockDat">PA14_26090 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208963 PSEAB])~~</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=5hka FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hka OCA], [https://pdbe.org/5hka PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5hka RCSB], [https://www.ebi.ac.uk/pdbsum/5hka PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5hka ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5hka FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hka OCA], [~~http~~://pdbe.org/5hka PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5hka RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5hka PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5hka ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H2ZD27_PSEAB A0A0H2ZD27_PSEAB]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Pseab~~]]	+	[[Category: Pseudomonas aeruginosa UCBPP-PA14]]
-	[[Category: Hvorecny~~, K L~~]]	+	[[Category: Hvorecny KL]]
-	[[Category: Madden~~, D R]]~~	+	[[Category: Madden DR]]
-	~~[[Category: Bacterial epoxide hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 08:19, 27 May 2020

OCA — Wed, 27 May 2020 08:19:53 GMT

←Older revision		Revision as of 08:19, 27 May 2020
Line 1:		Line 1:

	==Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor==		==Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor==
-	<StructureSection load='5hka' size='340' side='right' caption='[[5hka]], [[Resolution\|resolution]] 2.05Å' scene=''>	+	<StructureSection load='5hka' size='340' side='right'caption='[[5hka]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5hka]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HKA OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5HKA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5hka]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseab Pseab]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HKA OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5HKA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=64N:5-[2,6-DICHLORO-4-(PROPANOYLAMINO)PHENOXY]-2-HYDROXYBIPHENYL-4-CARBOXAMIDE'>64N</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=64N:5-[2,6-DICHLORO-4-(PROPANOYLAMINO)PHENOXY]-2-HYDROXYBIPHENYL-4-CARBOXAMIDE'>64N</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kd2\|3kd2]], [[4yx9\|4yx9]], [[5hkb\|5hkb]], [[5hk9\|5hk9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kd2\|3kd2]], [[4yx9\|4yx9]], [[5hkb\|5hkb]], [[5hk9\|5hk9]]</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=5hka FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hka OCA], [http://pdbe.org/5hka PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hka RCSB], [http://www.ebi.ac.uk/pdbsum/5hka PDBsum]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PA14_26090 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208963 PSEAB])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5hka FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hka OCA], [http://pdbe.org/5hka PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hka RCSB], [http://www.ebi.ac.uk/pdbsum/5hka PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5hka ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	</div>		</div>
	<div class="pdbe-citations 5hka" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5hka" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[CFTR inhibitory factor\|CFTR inhibitory factor]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Pseab]]
	[[Category: Hvorecny, K L]]		[[Category: Hvorecny, K L]]
	[[Category: Madden, D R]]		[[Category: Madden, D R]]

OCA at 15:54, 1 June 2016

OCA — Wed, 01 Jun 2016 15:54:05 GMT

←Older revision		Revision as of 15:54, 1 June 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5hka is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor==
		+	<StructureSection load='5hka' size='340' side='right' caption='[[5hka]], [[Resolution\|resolution]] 2.05Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5hka]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HKA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HKA FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=64N:5-[2,6-DICHLORO-4-(PROPANOYLAMINO)PHENOXY]-2-HYDROXYBIPHENYL-4-CARBOXAMIDE'>64N</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kd2\|3kd2]], [[4yx9\|4yx9]], [[5hkb\|5hkb]], [[5hk9\|5hk9]]</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=5hka FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hka OCA], [http://pdbe.org/5hka PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hka RCSB], [http://www.ebi.ac.uk/pdbsum/5hka PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The virulence factor cystic fibrosis transmembrane conductance regulator (CFTR) inhibitory factor (Cif) is secreted by Pseudomonas aeruginosa and is the founding member of a distinct class of epoxide hydrolases (EHs) that triggers the catalysis-dependent degradation of the CFTR. We describe here the development of a series of potent and selective Cif inhibitors by structure-based drug design. Initial screening revealed 1a (KB2115), a thyroid hormone analog, as a lead compound with low micromolar potency. Structural requirements for potency were systematically probed, and interactions between Cif and 1a were characterized by X-ray crystallography. On the basis of these data, new compounds were designed to yield additional hydrogen bonding with residues of the Cif active site. From this effort, three compounds were identified that are 10-fold more potent toward Cif than our first-generation inhibitors and have no detectable thyroid hormone-like activity. These inhibitors will be useful tools to study the pathological role of Cif and have the potential for clinical application.

-	~~Authors:~~ Hvorecny, ~~K.L.~~, Madden, D.R.	+	Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.,Kitamura S, Hvorecny KL, Niu J, Hammock BD, Madden DR, Morisseau C J Med Chem. 2016 May 26;59(10):4790-9. doi: 10.1021/acs.jmedchem.6b00173. Epub, 2016 May 4. PMID:27120257<ref>PMID:27120257</ref>

-	~~Description: Crystal structure~~ of the ~~CFTR inhibitory factor Cif bound to an amide inhibitor~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: Hvorecny, K.L]]	+	<div class="pdbe-citations 5hka" style="background-color:#fffaf0;"></div>
-	[[Category: Madden, D.R]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Hvorecny, K L]]
		+	[[Category: Madden, D R]]
		+	[[Category: Bacterial epoxide hydrolase]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Inhibitor]]

OCA at 23:42, 10 May 2016

OCA — Tue, 10 May 2016 23:42:02 GMT

←Older revision		Revision as of 23:42, 10 May 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5hka is ON HOLD	+	The entry 5hka is ON HOLD until Paper Publication

	Authors: Hvorecny, K.L., Madden, D.R.		Authors: Hvorecny, K.L., Madden, D.R.

OCA: Protected "5hka" [edit=sysop:move=sysop]

OCA — Wed, 20 Jan 2016 15:38:11 GMT

Protected "5hka" [edit=sysop:move=sysop]

←Older revision

Revision as of 15:38, 20 January 2016

OCA: New page: '''Unreleased structure''' The entry 5hka is ON HOLD Authors: Hvorecny, K.L., Madden, D.R. Description: Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor ...

OCA — Wed, 20 Jan 2016 15:38:10 GMT

New page: '''Unreleased structure''' The entry 5hka is ON HOLD Authors: Hvorecny, K.L., Madden, D.R. Description: Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor ...

New page

'''Unreleased structure'''

The entry 5hka is ON HOLD

Authors: Hvorecny, K.L., Madden, D.R.

Description: Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor
[[Category: Unreleased Structures]]
[[Category: Hvorecny, K.L]]
[[Category: Madden, D.R]]