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3v7t
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| - | [[ | + | ==Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold== |
| + | <StructureSection load='3v7t' size='340' side='right' caption='[[3v7t]], [[Resolution|resolution]] 2.09Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3v7t]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3V7T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3V7T FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0GX:{(3-EXO)-3-[5-(AMINOMETHYL)-2-FLUOROPHENYL]-8-AZABICYCLO[3.2.1]OCT-8-YL}(4-BROMO-3-METHYL-5-PROPOXYTHIOPHEN-2-YL)METHANONE'>0GX</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">TPSB2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr> | ||
| + | <tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3v7t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3v7t OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3v7t RCSB], [http://www.ebi.ac.uk/pdbsum/3v7t PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Tropanylamide was investigated as a possible scaffold for beta-tryptase inhibitors with a basic benzylamine P1 group and a substituted thiophene P4 group. Comparing to piperidinylamide, the tropanylamide scaffold is much more rigid, which presents less opportunity for the inhibitor to bind with off-target proteins, such as cytochrome P450, SSAO, and hERG potassium channel. The proposed binding mode was further confirmed by an in-house X-ray structure through co-crystallization. | ||
| - | + | A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity.,Liang G, Choi-Sledeski YM, Shum P, Chen X, Poli GB, Kumar V, Minnich A, Wang Q, Tsay J, Sides K, Kang J, Zhang Y Bioorg Med Chem Lett. 2012 Feb 15;22(4):1606-10. Epub 2012 Jan 3. PMID:22264487<ref>PMID:22264487</ref> | |
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| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| - | + | ==See Also== | |
| - | + | *[[Tryptase|Tryptase]] | |
| - | + | == References == | |
| - | + | <references/> | |
| - | + | __TOC__ | |
| - | + | </StructureSection> | |
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| - | [[ | + | |
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Colonna, C.]] | [[Category: Colonna, C.]] | ||
Revision as of 06:41, 5 June 2014
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
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