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==Crystal structure of fatty acid amide hydrolase with small molecule inhibitor== | |||
<StructureSection load='3qk5' size='340' side='right' caption='[[3qk5]], [[Resolution|resolution]] 2.20Å' scene=''> | |||
{ | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3qk5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QK5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QK5 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QK5:(3-{(3R)-1-[4-(1-BENZOTHIOPHEN-2-YL)PYRIMIDIN-2-YL]PIPERIDIN-3-YL}-2-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-1-YL)ACETONITRILE'>QK5</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3qj8|3qj8]], [[3qj9|3qj9]], [[3qkv|3qkv]]</td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Faah, Faah1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Fatty_acid_amide_hydrolase Fatty acid amide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.99 3.5.1.99] </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=3qk5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qk5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qk5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qk5 PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Starting from a series of ureas that were determined to be mechanism-based inhibitors of FAAH, several spirocyclic ureas and lactams were designed and synthesized. These efforts identified a series of novel, noncovalent FAAH inhibitors with in vitro potency comparable to known covalent FAAH inhibitors. The mechanism of action for these compounds was determined through a combination of SAR and co-crystallography with rat FAAH. | |||
Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.,Gustin DJ, Ma Z, Min X, Li Y, Hedberg C, Guimaraes C, Porter AC, Lindstrom M, Lester-Zeiner D, Xu G, Carlson TJ, Xiao S, Meleza C, Connors R, Wang Z, Kayser F Bioorg Med Chem Lett. 2011 Apr 15;21(8):2492-6. Epub 2011 Feb 17. PMID:21392988<ref>PMID:21392988</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
== | ==See Also== | ||
*[[Fatty acid amide hydrolase|Fatty acid amide hydrolase]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Fatty acid amide hydrolase]] | [[Category: Fatty acid amide hydrolase]] | ||
[[Category: Rattus norvegicus]] | [[Category: Rattus norvegicus]] | ||
[[Category: Min, X | [[Category: Min, X]] | ||
[[Category: Walker, N P.C | [[Category: Walker, N P.C]] | ||
[[Category: Wang, Z | [[Category: Wang, Z]] | ||
[[Category: Faah]] | [[Category: Faah]] | ||
[[Category: Fatty-acid amide hydrolase]] | [[Category: Fatty-acid amide hydrolase]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
[[Category: Protein-inhibitor complex]] | [[Category: Protein-inhibitor complex]] | ||
Revision as of 13:21, 19 December 2014
Crystal structure of fatty acid amide hydrolase with small molecule inhibitorCrystal structure of fatty acid amide hydrolase with small molecule inhibitor
Structural highlights
Publication Abstract from PubMedStarting from a series of ureas that were determined to be mechanism-based inhibitors of FAAH, several spirocyclic ureas and lactams were designed and synthesized. These efforts identified a series of novel, noncovalent FAAH inhibitors with in vitro potency comparable to known covalent FAAH inhibitors. The mechanism of action for these compounds was determined through a combination of SAR and co-crystallography with rat FAAH. Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.,Gustin DJ, Ma Z, Min X, Li Y, Hedberg C, Guimaraes C, Porter AC, Lindstrom M, Lester-Zeiner D, Xu G, Carlson TJ, Xiao S, Meleza C, Connors R, Wang Z, Kayser F Bioorg Med Chem Lett. 2011 Apr 15;21(8):2492-6. Epub 2011 Feb 17. PMID:21392988[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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