5y9l - Revision history

OCA at 08:24, 22 November 2023

OCA — Wed, 22 Nov 2023 08:24:59 GMT

←Older revision		Revision as of 08:24, 22 November 2023
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	<StructureSection load='5y9l' size='340' side='right'caption='[[5y9l]], [[Resolution\|resolution]] 2.15Å' scene=''>		<StructureSection load='5y9l' size='340' side='right'caption='[[5y9l]], [[Resolution\|resolution]] 2.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5y9l]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y9L OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5Y9L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5y9l]] is a 1 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=5Y9L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5Y9L FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8R3:3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic+acid'>8R3</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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]] 2.15Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Stratum_corneum_chymotryptic_enzyme Stratum corneum chymotryptic enzyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.117 3.4.21.117] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8R3:3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic+acid'>8R3</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></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=5y9l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y9l OCA], [~~http~~://pdbe.org/5y9l PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5y9l RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5y9l PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5y9l 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=5y9l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y9l OCA], [https://pdbe.org/5y9l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5y9l RCSB], [https://www.ebi.ac.uk/pdbsum/5y9l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5y9l ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/KLK7_HUMAN KLK7_HUMAN]] May catalyze the degradation of intercellular cohesive structures in the cornified layer of the skin in the continuous shedding of cells from the skin surface. Specific for amino acid residues with aromatic side chains in the P1 position. SCCE cleaves insulin B chain at '6-Leu-\|-Cys-7', '16-Tyr-\|-Leu-17', '25-Phe-\|-Tyr-26' and '26-Tyr-\|-Thr-27'. Could play a role in the activation of precursors to inflammatory cytokines.	+	[https://www.uniprot.org/uniprot/KLK7_HUMAN KLK7_HUMAN] May catalyze the degradation of intercellular cohesive structures in the cornified layer of the skin in the continuous shedding of cells from the skin surface. Specific for amino acid residues with aromatic side chains in the P1 position. SCCE cleaves insulin B chain at '6-Leu-\|-Cys-7', '16-Tyr-\|-Leu-17', '25-Phe-\|-Tyr-26' and '26-Tyr-\|-Thr-27'. Could play a role in the activation of precursors to inflammatory cytokines.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Stratum corneum chymotryptic enzyme]]~~	+	[[Category: Sugawara H]]
-	[[Category: Sugawara, H]]	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor complex]]~~	+
-	~~[[Category: Protease~~]]	+

OCA at 09:13, 21 October 2020

OCA — Wed, 21 Oct 2020 09:13:49 GMT

←Older revision		Revision as of 09:13, 21 October 2020
Line 1:		Line 1:

	==Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one==		==Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one==
-	<StructureSection load='5y9l' size='340' side='right' caption='[[5y9l]], [[Resolution\|resolution]] 2.15Å' scene=''>	+	<StructureSection load='5y9l' size='340' side='right'caption='[[5y9l]], [[Resolution\|resolution]] 2.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5y9l]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y9L OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5Y9L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5y9l]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y9L OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5Y9L FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8R3:3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic+acid'>8R3</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8R3:3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic+acid'>8R3</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Stratum_corneum_chymotryptic_enzyme Stratum corneum chymotryptic enzyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.117 3.4.21.117] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Stratum_corneum_chymotryptic_enzyme Stratum corneum chymotryptic enzyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.117 3.4.21.117] </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=5y9l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y9l OCA], [http://pdbe.org/5y9l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y9l RCSB], [http://www.ebi.ac.uk/pdbsum/5y9l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y9l 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=5y9l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y9l OCA], [http://pdbe.org/5y9l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y9l RCSB], [http://www.ebi.ac.uk/pdbsum/5y9l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y9l ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5y9l" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5y9l" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Kallikrein 3D structures\|Kallikrein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Stratum corneum chymotryptic enzyme]]		[[Category: Stratum corneum chymotryptic enzyme]]
	[[Category: Sugawara, H]]		[[Category: Sugawara, H]]

OCA at 06:13, 29 November 2017

OCA — Wed, 29 Nov 2017 06:13:56 GMT

←Older revision		Revision as of 06:13, 29 November 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5y9l is ~~ON HOLD until Paper~~ Publication	+	==Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one==
		+	<StructureSection load='5y9l' size='340' side='right' caption='[[5y9l]], [[Resolution\|resolution]] 2.15Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5y9l]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y9L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y9L FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8R3:3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic+acid'>8R3</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Stratum_corneum_chymotryptic_enzyme Stratum corneum chymotryptic enzyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.117 3.4.21.117] </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=5y9l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y9l OCA], [http://pdbe.org/5y9l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y9l RCSB], [http://www.ebi.ac.uk/pdbsum/5y9l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y9l ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/KLK7_HUMAN KLK7_HUMAN]] May catalyze the degradation of intercellular cohesive structures in the cornified layer of the skin in the continuous shedding of cells from the skin surface. Specific for amino acid residues with aromatic side chains in the P1 position. SCCE cleaves insulin B chain at '6-Leu-\|-Cys-7', '16-Tyr-\|-Leu-17', '25-Phe-\|-Tyr-26' and '26-Tyr-\|-Thr-27'. Could play a role in the activation of precursors to inflammatory cytokines.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Compound 1, composed of a 1,3,6-trisubstituted 1,4-diazepane-7-one, was discovered as a novel human kallikrein 7 (KLK7, stratum corneum chymotryptic enzyme, SCCE) inhibitor, and its derivatives were synthesized and evaluated. Structure-activity relationship studies of the amidoxime unit and benzoic acid part of this new scaffold led to the identification of 25 and 34, which were more potent than the hit compound, 1. The X-ray co-crystal structure of compound 25 and human KLK7 revealed the characteristic interactions and enabled explanations of the structure-activity relationship.

-	~~Authors: Sugawara~~, H.	+	Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors.,Murafuji H, Sakai H, Goto M, Imajo S, Sugawara H, Muto T Bioorg Med Chem Lett. 2017 Dec 1;27(23):5272-5276. doi:, 10.1016/j.bmcl.2017.10.030. Epub 2017 Oct 17. PMID:29102227<ref>PMID:29102227</ref>

-	~~Description: Human kallikrein 7 in complex with 1~~,~~3,6~~-~~trisubstituted 1,4~~-~~diazepane-7-one~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5y9l" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Stratum corneum chymotryptic enzyme]]
	[[Category: Sugawara, H]]		[[Category: Sugawara, H]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor complex]]
		+	[[Category: Protease]]

OCA: Protected "5y9l" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 16:18:15 GMT

Protected "5y9l" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:18, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5y9l is ON HOLD until Paper Publication Authors: Sugawara, H. Description: Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-...

OCA — Wed, 27 Sep 2017 16:18:14 GMT

New page: '''Unreleased structure''' The entry 5y9l is ON HOLD until Paper Publication Authors: Sugawara, H. Description: Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-...

New page

'''Unreleased structure'''

The entry 5y9l is ON HOLD until Paper Publication

Authors: Sugawara, H.

Description: Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one
[[Category: Unreleased Structures]]
[[Category: Sugawara, H]]