6qfe - Revision history

OCA at 11:59, 24 January 2024

2024-01-24T11:59:15Z

←Older revision		Revision as of 11:59, 24 January 2024
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	<StructureSection load='6qfe' size='340' side='right'caption='[[6qfe]], [[Resolution\|resolution]] 1.67Å' scene=''>		<StructureSection load='6qfe' size='340' side='right'caption='[[6qfe]], [[Resolution\|resolution]] 1.67Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qfe]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QFE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6QFE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qfe]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QFE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QFE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J08:4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide'>J08</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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]] 1.67Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KLK5, SCTE, UNQ570/PRO1132 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J08:4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide'>J08</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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=6qfe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qfe OCA], [~~http~~://pdbe.org/6qfe PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6qfe RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6qfe PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6qfe 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=6qfe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qfe OCA], [https://pdbe.org/6qfe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qfe RCSB], [https://www.ebi.ac.uk/pdbsum/6qfe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qfe ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/KLK5_HUMAN KLK5_HUMAN]] May be involved in desquamation.	+	[https://www.uniprot.org/uniprot/KLK5_HUMAN KLK5_HUMAN] May be involved in desquamation.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6qfe" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6qfe" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Kallikrein 3D structures\|Kallikrein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Thorpe~~, J H]]~~	+	[[Category: Thorpe JH]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Protease~~]]	+

OCA at 08:23, 21 May 2019

2019-05-21T08:23:59Z

←Older revision		Revision as of 08:23, 21 May 2019
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	<StructureSection load='6qfe' size='340' side='right'caption='[[6qfe]], [[Resolution\|resolution]] 1.67Å' scene=''>		<StructureSection load='6qfe' size='340' side='right'caption='[[6qfe]], [[Resolution\|resolution]] 1.67Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qfe]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QFE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qfe]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QFE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J08:4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide'>J08</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J08:4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide'>J08</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KLK5, SCTE, UNQ570/PRO1132 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=6qfe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qfe OCA], [http://pdbe.org/6qfe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qfe RCSB], [http://www.ebi.ac.uk/pdbsum/6qfe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qfe 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=6qfe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qfe OCA], [http://pdbe.org/6qfe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qfe RCSB], [http://www.ebi.ac.uk/pdbsum/6qfe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qfe ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/KLK5_HUMAN KLK5_HUMAN]] May be involved in desquamation.		[[http://www.uniprot.org/uniprot/KLK5_HUMAN KLK5_HUMAN]] May be involved in desquamation.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The inhibition of kallikrein 5 (KLK5) has been identified as a potential strategy for treatment of the genetic skin disorder Netherton syndrome, in which loss-of-function mutations in the SPINK5 gene lead to down-regulation of the endogenous inhibitor LEKTI-1 and profound skin-barrier defects with severe allergic manifestations. To aid in the development of a medicine for this target, an X-ray crystallographic system was developed to facilitate fragment-guided chemistry and knowledge-based drug-discovery approaches. Here, the development of a surrogate crystallographic system in place of KLK5, which proved to be challenging to crystallize, is described. The biochemical robustness of the crystallographic surrogate and the suitability of the system for the study of small nonpeptidic fragments and lead-like molecules are demonstrated.
		+
		+	Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.,Thorpe JH, Edgar EV, Smith KJ, Lewell XQ, Rella M, White GV, Polyakova O, Nassau P, Walker AL, Holmes DS, Pearce AC, Wang Y, Liddle J, Hovnanian A Acta Crystallogr F Struct Biol Commun. 2019 May 1;75(Pt 5):385-391. doi:, 10.1107/S2053230X19003169. Epub 2019 Apr 26. PMID:31045568<ref>PMID:31045568</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6qfe" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Thorpe, J H]]		[[Category: Thorpe, J H]]

OCA at 11:25, 10 May 2019

2019-05-10T11:25:35Z

←Older revision		Revision as of 11:25, 10 May 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6qfe is ~~ON HOLD until Paper Publication~~	+	==Crystal Structure of Human Kallikrein 5 in complex with GSK144==
-		+	<StructureSection load='6qfe' size='340' side='right'caption='[[6qfe]], [[Resolution\|resolution]] 1.67Å' scene=''>
-	~~Authors~~: ~~Thorpe~~, J.H.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6qfe]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QFE FirstGlance]. <br>
-	~~Description~~: ~~Crystal Structure of Human Kallikrein 5~~ in ~~complex with GSK144~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J08:4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide'>J08</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<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=6qfe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qfe OCA], [http://pdbe.org/6qfe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qfe RCSB], [http://www.ebi.ac.uk/pdbsum/6qfe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qfe ProSAT]</span></td></tr>
-	[[Category: Thorpe, J.H]]	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/KLK5_HUMAN KLK5_HUMAN]] May be involved in desquamation.
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Thorpe, J H]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Protease]]

OCA at 06:53, 30 January 2019

2019-01-30T06:53:11Z

←Older revision		Revision as of 06:53, 30 January 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Thorpe, J.H.		Authors: Thorpe, J.H.

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

2019-01-16T10:51:19Z

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

←Older revision

Revision as of 10:51, 16 January 2019

OCA: New page: '''Unreleased structure''' The entry 6qfe is ON HOLD Authors: Thorpe, J.H. Description: Crystal Structure of Human Kallikrein 5 in complex with GSK144 [[Category: Unreleased Structures...

2019-01-16T10:51:18Z

New page: '''Unreleased structure''' The entry 6qfe is ON HOLD Authors: Thorpe, J.H. Description: Crystal Structure of Human Kallikrein 5 in complex with GSK144 [[Category: Unreleased Structures...

New page

'''Unreleased structure'''

The entry 6qfe is ON HOLD

Authors: Thorpe, J.H.

Description: Crystal Structure of Human Kallikrein 5 in complex with GSK144
[[Category: Unreleased Structures]]
[[Category: Thorpe, J.H]]