4txe: Difference between revisions
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4txe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TXE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4TXE FirstGlance]. <br> | <table><tr><td colspan='2'>[[4txe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TXE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4TXE FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=38F:(2S)-1-(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)-3-(3,4-DIMETHYLPHENOXY)PROPAN-2-OL'>38F</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]] 1.8Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=38F:(2S)-1-(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)-3-(3,4-DIMETHYLPHENOXY)PROPAN-2-OL'>38F</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=4txe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4txe OCA], [https://pdbe.org/4txe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4txe RCSB], [https://www.ebi.ac.uk/pdbsum/4txe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4txe 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=4txe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4txe OCA], [https://pdbe.org/4txe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4txe RCSB], [https://www.ebi.ac.uk/pdbsum/4txe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4txe ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Latest revision as of 15:25, 20 December 2023
ScCTS1 in complex with compound 5ScCTS1 in complex with compound 5
Structural highlights
FunctionCHIT_YEAST Chitinase is required for cell separation during growth of Saccharomyces cerevisiae. Publication Abstract from PubMedA limited therapeutic arsenal against increasing clinical disease due to Aspergillus spp. necessitates urgent characterisation of new antifungal targets. Here we describe the discovery of novel, low micromolar chemical inhibitors of Aspergillus fumigatus family 18 plant-type chitinase A1 (AfChiA1) by high-throughput screening (HTS). Analysis of the binding mode by X-ray crystallography confirmed competitive inhibition and kinetic studies revealed two compounds with selectivity towards fungal plant-type chitinases. These inhibitors provide new chemical tools to probe the effects of chitinase inhibition on A. fumigatus growth and virulence, presenting attractive starting points for the development of further potent drug-like molecules. Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors.,Lockhart DE, Schuettelkopf A, Blair DE, van Aalten DM FEBS Lett. 2014 Jul 22. pii: S0014-5793(14)00564-X. doi:, 10.1016/j.febslet.2014.07.015. PMID:25063338[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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