4crt: Difference between revisions

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-'''Unreleased structure'''
-The entry 4crt is ON HOLD
+==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]] 1.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4crt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CRT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4CRT FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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></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=4crt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4crt OCA], [https://pdbe.org/4crt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4crt RCSB], [https://www.ebi.ac.uk/pdbsum/4crt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4crt ProSAT]</span></td></tr>
+</table>
+== Function ==
+[[https://www.uniprot.org/uniprot/AOFB_HUMAN AOFB_HUMAN]] Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOB preferentially degrades benzylamine and phenylethylamine.
+<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.
-Authors: Esteban, G., Allan, J., Samadi, A., Mattevi, A., Unzeta, M., Marco-Contelles, J., Binda, C., Ramsay, R.R.
+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>
-Description: Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 4crt" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Monoamine oxidase|Monoamine oxidase]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Allan J]]
+[[Category: Binda C]]
+[[Category: Esteban G]]
+[[Category: Marco-Contelles J]]
+[[Category: Mattevi A]]
+[[Category: Ramsay RR]]
+[[Category: Samadi A]]
+[[Category: Unzeta M]]