9cjn: Difference between revisions

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'''Unreleased structure'''


The entry 9cjn is ON HOLD  until Paper Publication
==Ligase Cp1B==
<StructureSection load='9cjn' size='340' side='right'caption='[[9cjn]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9cjn]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_flavus Aspergillus flavus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9CJN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9CJN 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]] 2.7&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADN:ADENOSINE'>ADN</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=9cjn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9cjn OCA], [https://pdbe.org/9cjn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9cjn RCSB], [https://www.ebi.ac.uk/pdbsum/9cjn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9cjn ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A5N6H2I3_ASPFL A0A5N6H2I3_ASPFL]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
E-64 is an irreversible cysteine protease inhibitor prominently used in chemical biology and drug discovery. Here we uncover a nonribosomal peptide synthetase-independent biosynthetic pathway for E-64, which is widely conserved in fungi. The pathway starts with epoxidation of fumaric acid to the warhead (2S,3S)-trans-epoxysuccinic acid with an Fe(II)/alpha-ketoglutarate-dependent oxygenase, followed by successive condensation with an L-amino acid by an adenosine triphosphate grasp enzyme and with an amine by the fungal example of amide bond synthetase. Both amide bond-forming enzymes display notable biocatalytic potential, including scalability, stereoselectivity toward the warhead and broader substrate scopes in forming the amide bonds. Biocatalytic cascade with these amide bond-forming enzymes generated a library of cysteine protease inhibitors, leading to more potent cathepsin inhibitors. Additionally, one-pot reactions enabled the preparative synthesis of clinically relevant inhibitors. Our work highlights the importance of biosynthetic investigation for enzyme discovery and the potential of amide bond-forming enzymes in synthesizing small-molecule libraries.


Authors:  
Enzymatic combinatorial synthesis of E-64 and related cysteine protease inhibitors.,Liu M, Zang X, Vlahakis NW, Rodriguez JA, Ohashi M, Tang Y Nat Chem Biol. 2025 May 9. doi: 10.1038/s41589-025-01907-2. PMID:40346252<ref>PMID:40346252</ref>


Description:  
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
<div class="pdbe-citations 9cjn" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Aspergillus flavus]]
[[Category: Large Structures]]
[[Category: Xin Z]]
[[Category: Yi T]]
Retrieved from "https://proteopedia.org/9cjn"