3q2z: Difference between revisions
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==Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid== | |||
<StructureSection load='3q2z' size='340' side='right' caption='[[3q2z]], [[Resolution|resolution]] 2.00Å' scene=''> | |||
{ | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3q2z]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q2Z OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q2Z FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D9A:N-{[(3R,5S)-7-CHLORO-5-(2,3-DIMETHOXYPHENYL)-1-(2,2-DIMETHYLPROPYL)-2-OXO-1,2,3,5-TETRAHYDRO-4,1-BENZOXAZEPIN-3-YL]ACETYL}-L-ASPARTIC+ACID'>D9A</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3q30|3q30]], [[3asx|3asx]]</td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">FDFT1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </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=3q2z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q2z OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q2z RCSB], [http://www.ebi.ac.uk/pdbsum/3q2z PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
To obtain small and efficient squalene synthase inhibitors, a flexible 2-aminobenzhydrol open form structure was designed and showed potent inhibitory activity comparable to 4,1-benzoxazepin compounds. Further chemical modification led to the discovery of a novel template with a strong squalene synthase inhibitory activity, and its basic structure-activity relationship was revealed. The X-ray crystallographic data of compound 12 bound to the active site of squalene synthase provided an important insight into the binding mode of this alternative template that formed 11-membered ring conformations with an intramolecular hydrogen bond. | |||
Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors.,Ichikawa M, Yokomizo A, Itoh M, Sugita K, Usui H, Shimizu H, Suzuki M, Terayama K, Kanda A Bioorg Med Chem. 2011 Mar 15;19(6):1930-49. Epub 2011 Feb 3. PMID:21353782<ref>PMID:21353782</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | |||
*[[Squalene synthase|Squalene synthase]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Squalene synthase]] | [[Category: Squalene synthase]] | ||
[[Category: Higashihashi, N | [[Category: Higashihashi, N]] | ||
[[Category: Ichikawa, M | [[Category: Ichikawa, M]] | ||
[[Category: Itoh, M | [[Category: Itoh, M]] | ||
[[Category: Katakura, S | [[Category: Katakura, S]] | ||
[[Category: Shimizu, H | [[Category: Shimizu, H]] | ||
[[Category: Sugita, K | [[Category: Sugita, K]] | ||
[[Category: Suzuki, M | [[Category: Suzuki, M]] | ||
[[Category: Usui, H | [[Category: Usui, H]] | ||
[[Category: Yamazaki, K | [[Category: Yamazaki, K]] | ||
[[Category: Yokomizo, A | [[Category: Yokomizo, A]] | ||
[[Category: Isoprene biosynthesis]] | [[Category: Isoprene biosynthesis]] | ||
[[Category: Lipid synthesis]] | [[Category: Lipid synthesis]] | ||
