4crt
From Proteopedia
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| - | + | ==Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234== | |
| - | + | <StructureSection load='4crt' size='340' side='right' caption='[[4crt]], [[Resolution|resolution]] 1.80Å' scene=''> | |
| - | + | == Structural highlights == | |
| + | <table><tr><td colspan='2'>[[4crt]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CRT OCA]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASS:(E)-N-METHYL-N-[[1-METHYL-5-[3-[1-(PHENYLMETHYL)PIPERIDIN-4-YL]PROPOXY]INDOL-2-YL]METHYL]PROP-1-EN-1-AMINE'>ASS</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></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=4crt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4crt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4crt RCSB], [http://www.ebi.ac.uk/pdbsum/4crt PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Monoamine oxidases (MAO) and cholinesterases are validated targets in the design of drugs for the treatment of Alzheimer's disease. The multi-target compound N-((5-(3-(1-benzylpiperidin-4-yl)propoxy)-1-methyl-1H-indol-2-yl)methyl)-N-methyl prop-2-yn-1-amine (ASS234), bearing the MAO-inhibiting propargyl group attached to a donepezil moiety that inhibits cholinesterases, retained activity against human acetyl- and butyryl-cholinesterases. The inhibition of MAO A and MAO B by ASS234 was characterized and compared to other known MAO inhibitors. ASS234 was almost as effective as clorgyline (kinact/KI=3x106 min-1M-1) and was shown by structural studies to form the same N5 covalent adduct with the FAD cofactor. | ||
| - | + | Kinetic and structural analysis of the irreversible inhibition of human monoamine oxidases by ASS234, a multi-target compound designed for use in Alzheimer's disease.,Esteban G, Allan J, Samadi A, Mattevi A, Unzeta M, Marco-Contelles J, Binda C, Ramsay RR Biochim Biophys Acta. 2014 Mar 16. pii: S1570-9639(14)00056-9. doi:, 10.1016/j.bbapap.2014.03.006. PMID:24642166<ref>PMID:24642166</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| - | == | + | <references/> |
| - | + | __TOC__ | |
| + | </StructureSection> | ||
| + | [[Category: Human]] | ||
[[Category: Monoamine oxidase]] | [[Category: Monoamine oxidase]] | ||
[[Category: Allan, J.]] | [[Category: Allan, J.]] | ||
Revision as of 07:00, 7 May 2014
Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234
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