5lgo: Difference between revisions
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New page: '''Unreleased structure''' The entry 5lgo is ON HOLD Authors: Schiering, N., D'Arcy, A. Description: Trypsin inhibitors for the treatment of pancreatitis -cpd 15 [[Category: Unreleased... |
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==Trypsin inhibitors for the treatment of pancreatitis - cpd 15== | |||
<StructureSection load='5lgo' size='340' side='right'caption='[[5lgo]], [[Resolution|resolution]] 1.12Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5lgo]] 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=5LGO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LGO FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.12Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6VZ:(2~{S},4~{S})-1-[4-(AMINOMETHYL)-3-METHOXY-PHENYL]CARBONYL-4-[4-(2-CYCLOPROPYLETHOXY)-6,8-DIHYDRO-5~{H}-PYRIDO[3,4-D]PYRIMIDIN-7-YL]-~{N}-METHYL-PYRROLIDINE-2-CARBOXAMIDE'>6VZ</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'>[https://proteopedia.org/fgij/fg.htm?mol=5lgo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lgo OCA], [https://pdbe.org/5lgo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lgo RCSB], [https://www.ebi.ac.uk/pdbsum/5lgo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lgo ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN] | |||
<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. | |||
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> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: D'Arcy | <div class="pdbe-citations 5lgo" style="background-color:#fffaf0;"></div> | ||
[[Category: Schiering | |||
==See Also== | |||
*[[Trypsin 3D structures|Trypsin 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Bos taurus]] | |||
[[Category: Large Structures]] | |||
[[Category: D'Arcy A]] | |||
[[Category: Schiering N]] | |||
Latest revision as of 21:24, 18 October 2023
Trypsin inhibitors for the treatment of pancreatitis - cpd 15Trypsin inhibitors for the treatment of pancreatitis - cpd 15
Structural highlights
FunctionPublication Abstract from PubMedProline-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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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