4crt: Difference between revisions

← Older edit Newer edit →

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-{{STRUCTURE_4crt|  PDB=4crt  |  SCENE=  }}
+==Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234==
-===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=''>
-{{ABSTRACT_PUBMED_24642166}}
+== 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.
-==Function==
+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>
-[[http://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.
-==About this Structure==
+From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-[[4crt]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CRT OCA].
+</div>
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:024642166</ref><references group="xtra"/><references/>
+__TOC__
+</StructureSection>
+[[Category: Human]]
 [[Category: Monoamine oxidase]]
 [[Category: Allan, J.]]