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[[ | ==Structure of ricin A chain bound with N-((1H-1,2,3-triazol-4-yl)methyl-2-amino-4-oxo-3,4-dihydropteridine-7-carboxamide== | ||
<StructureSection load='4esi' size='340' side='right' caption='[[4esi]], [[Resolution|resolution]] 1.87Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4esi]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Castor_bean Castor bean]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ESI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ESI FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0RB:2-AMINO-4-OXO-N-(1H-1,2,3-TRIAZOL-5-YLMETHYL)-1,4-DIHYDROPTERIDINE-7-CARBOXAMIDE'>0RB</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1rtc|1rtc]], [[1ift|1ift]], [[1br6|1br6]], [[1br5|1br5]], [[3px8|3px8]], [[3px9|3px9]]</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/rRNA_N-glycosylase rRNA N-glycosylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.22 3.2.2.22] </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=4esi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4esi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4esi RCSB], [http://www.ebi.ac.uk/pdbsum/4esi PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The optimization of a series of pterin amides for use as Ricin Toxin A (RTA) inhibitors is reported. Based upon crystallographic data of a previous furan-linked pterin, various expanded furans were synthesized, linked to the pterin and tested for inhibition. Concurrently, hetero-analogs of furan were explored, leading to the discovery of more potent triazol-linked pterins. Additionally, we discuss a dramatic improvement in the synthesis of these pterin amides via a dual role by diazabicycloundecene (DBU). This synthetic enhancement facilitates rapid diversification of the previously challenging pterin heterocycle, potentially aiding future medicinal research involving this structure. | |||
Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A.,Pruet JM, Saito R, Manzano LA, Jasheway KR, Wiget PA, Kamat I, Anslyn EV, Robertus JD ACS Med Chem Lett. 2012 Jul 12;3(7):588-591. Epub 2012 May 29. PMID:23050058<ref>PMID:23050058</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | |||
*[[Ricin|Ricin]] | |||
== | == References == | ||
[[ | <references/> | ||
[[Category: | __TOC__ | ||
</StructureSection> | |||
[[Category: Castor bean]] | |||
[[Category: RRNA N-glycosylase]] | [[Category: RRNA N-glycosylase]] | ||
[[Category: Anslyn, E V | [[Category: Anslyn, E V]] | ||
[[Category: Jasheway, K R | [[Category: Jasheway, K R]] | ||
[[Category: Kamat, I | [[Category: Kamat, I]] | ||
[[Category: Manzano, L A | [[Category: Manzano, L A]] | ||
[[Category: Monzingo, A F | [[Category: Monzingo, A F]] | ||
[[Category: Pruet, J M | [[Category: Pruet, J M]] | ||
[[Category: Robertus, J D | [[Category: Robertus, J D]] | ||
[[Category: Ryoto, S | [[Category: Ryoto, S]] | ||
[[Category: Wiget, P A | [[Category: Wiget, P A]] | ||
[[Category: Hydrolase]] | [[Category: Hydrolase]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
Revision as of 20:40, 9 December 2014
Structure of ricin A chain bound with N-((1H-1,2,3-triazol-4-yl)methyl-2-amino-4-oxo-3,4-dihydropteridine-7-carboxamideStructure of ricin A chain bound with N-((1H-1,2,3-triazol-4-yl)methyl-2-amino-4-oxo-3,4-dihydropteridine-7-carboxamide
Structural highlights
Publication Abstract from PubMedThe optimization of a series of pterin amides for use as Ricin Toxin A (RTA) inhibitors is reported. Based upon crystallographic data of a previous furan-linked pterin, various expanded furans were synthesized, linked to the pterin and tested for inhibition. Concurrently, hetero-analogs of furan were explored, leading to the discovery of more potent triazol-linked pterins. Additionally, we discuss a dramatic improvement in the synthesis of these pterin amides via a dual role by diazabicycloundecene (DBU). This synthetic enhancement facilitates rapid diversification of the previously challenging pterin heterocycle, potentially aiding future medicinal research involving this structure. Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A.,Pruet JM, Saito R, Manzano LA, Jasheway KR, Wiget PA, Kamat I, Anslyn EV, Robertus JD ACS Med Chem Lett. 2012 Jul 12;3(7):588-591. Epub 2012 May 29. PMID:23050058[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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