5lh8 - Revision history

OCA at 18:25, 18 October 2023

OCA — Wed, 18 Oct 2023 18:25:43 GMT

←Older revision		Revision as of 18:25, 18 October 2023
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	<StructureSection load='5lh8' size='340' side='right'caption='[[5lh8]], [[Resolution\|resolution]] 1.54Å' scene=''>		<StructureSection load='5lh8' size='340' side='right'caption='[[5lh8]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lh8]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LH8 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5LH8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lh8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LH8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LH8 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6WH:(2~{S},4~{S})-1-[4-(AMINOMETHYL)-3-METHOXY-PHENYL]CARBONYL-4-(4-CYCLOPROPYL-1,2,3-TRIAZOL-1-YL)-~{N}-[(1~{S},2~{R})-2-PHENYLCYCLOHEXYL]PYRROLIDINE-2-CARBOXAMIDE'>6WH</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</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]] 1.54Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6WH:(2~{S},4~{S})-1-[4-(AMINOMETHYL)-3-METHOXY-PHENYL]CARBONYL-4-(4-CYCLOPROPYL-1,2,3-TRIAZOL-1-YL)-~{N}-[(1~{S},2~{R})-2-PHENYLCYCLOHEXYL]PYRROLIDINE-2-CARBOXAMIDE'>6WH</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</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=5lh8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lh8 OCA], [~~http~~://pdbe.org/5lh8 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5lh8 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5lh8 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5lh8 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=5lh8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lh8 OCA], [https://pdbe.org/5lh8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lh8 RCSB], [https://www.ebi.ac.uk/pdbsum/5lh8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lh8 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
	<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 5lh8" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5lh8" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Trypsin 3D structures\|Trypsin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Trypsin~~]]	+	[[Category: Brandl T]]
-	[[Category: Arcy, A ~~D]]~~	+	[[Category: D'Arcy A]]
-	~~[[Category: Brandl, T~~]]	+	[[Category: Schiering N]]
-	[[Category: Schiering, N]]	+	[[Category: Simic O]]
-	[[Category: Simic, O]]	+	[[Category: Skaanderup P]]
-	[[Category: Skaanderup, P]]	+	[[Category: Woelcke J]]
-	[[Category: Woelcke, J]]	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Pancreatitis]]~~	+
-	~~[[Category: S1 protease~~]]	+

OCA at 06:28, 16 October 2019

OCA — Wed, 16 Oct 2019 06:28:50 GMT

←Older revision		Revision as of 06:28, 16 October 2019
Line 1:		Line 1:

	==Trypsin inhibitors for the treatment of pancreatitis - cpd 8==		==Trypsin inhibitors for the treatment of pancreatitis - cpd 8==
-	<StructureSection load='5lh8' size='340' side='right' caption='[[5lh8]], [[Resolution\|resolution]] 1.54Å' scene=''>	+	<StructureSection load='5lh8' size='340' side='right'caption='[[5lh8]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5lh8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LH8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LH8 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5lh8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LH8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LH8 FirstGlance]. <br>
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	</StructureSection>		</StructureSection>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
		+	[[Category: Large Structures]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
	[[Category: Arcy, A D]]		[[Category: Arcy, A D]]

OCA at 16:06, 10 August 2016

OCA — Wed, 10 Aug 2016 16:06:39 GMT

←Older revision		Revision as of 16:06, 10 August 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5lh8 is ~~ON HOLD~~	+	==Trypsin inhibitors for the treatment of pancreatitis - cpd 8==
		+	<StructureSection load='5lh8' size='340' side='right' caption='[[5lh8]], [[Resolution\|resolution]] 1.54Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5lh8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LH8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LH8 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6WH:(2~{S},4~{S})-1-[4-(AMINOMETHYL)-3-METHOXY-PHENYL]CARBONYL-4-(4-CYCLOPROPYL-1,2,3-TRIAZOL-1-YL)-~{N}-[(1~{S},2~{R})-2-PHENYLCYCLOHEXYL]PYRROLIDINE-2-CARBOXAMIDE'>6WH</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </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=5lh8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lh8 OCA], [http://pdbe.org/5lh8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lh8 RCSB], [http://www.ebi.ac.uk/pdbsum/5lh8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lh8 ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Proline-based trypsin inhibitors occupying the S1-S2-S1' region were identified by an HTS screening campaign. It was discovered that truncation of the P1' moiety and appropriate extension into the S4 region led to highly potent trypsin inhibitors with excellent selectivity against related serine proteases and a favorable hERG profile.

-	~~Authors: Schiering, N~~., ~~D'Arcy~~, A., Skaanderup, P., ~~Simic~~, O., ~~Brandl~~, T., Woelcke, J.	+	Trypsin inhibitors for the treatment of pancreatitis.,Brandl T, Simic O, Skaanderup PR, Namoto K, Berst F, Ehrhardt C, Schiering N, Mueller I, Woelcke J Bioorg Med Chem Lett. 2016 Jul 17. pii: S0960-894X(16)30742-9. doi:, 10.1016/j.bmcl.2016.07.029. PMID:27476144<ref>PMID:27476144</ref>

-	~~Description: Trypsin inhibitors for~~ the ~~treatment~~ of ~~pancreatitis~~ -~~cpd 8~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5lh8" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Bos taurus]]
		+	[[Category: Trypsin]]
		+	[[Category: Arcy, A D]]
	[[Category: Brandl, T]]		[[Category: Brandl, T]]
-	[[Category: Woelcke, J]]
-	[[Category: Skaanderup, P]]
-	[[Category: D'Arcy, A]]
	[[Category: Schiering, N]]		[[Category: Schiering, N]]
	[[Category: Simic, O]]		[[Category: Simic, O]]
		+	[[Category: Skaanderup, P]]
		+	[[Category: Woelcke, J]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Pancreatitis]]
		+	[[Category: S1 protease]]

OCA: Protected "5lh8" [edit=sysop:move=sysop]

OCA — Tue, 26 Jul 2016 13:30:55 GMT

Protected "5lh8" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:30, 26 July 2016

OCA: New page: '''Unreleased structure''' The entry 5lh8 is ON HOLD Authors: Schiering, N., D'Arcy, A., Skaanderup, P., Simic, O., Brandl, T., Woelcke, J. Description: Trypsin inhibitors for the trea...

OCA — Tue, 26 Jul 2016 13:30:54 GMT

New page: '''Unreleased structure''' The entry 5lh8 is ON HOLD Authors: Schiering, N., D'Arcy, A., Skaanderup, P., Simic, O., Brandl, T., Woelcke, J. Description: Trypsin inhibitors for the trea...

New page

'''Unreleased structure'''

The entry 5lh8 is ON HOLD

Authors: Schiering, N., D'Arcy, A., Skaanderup, P., Simic, O., Brandl, T., Woelcke, J.

Description: Trypsin inhibitors for the treatment of pancreatitis -cpd 8
[[Category: Unreleased Structures]]
[[Category: Brandl, T]]
[[Category: Woelcke, J]]
[[Category: Skaanderup, P]]
[[Category: D'Arcy, A]]
[[Category: Schiering, N]]
[[Category: Simic, O]]