3asx

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[[Image:3asx.png|left|200px]]
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==Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid==
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<StructureSection load='3asx' size='340' side='right' caption='[[3asx]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3asx]] 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=3ASX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ASX FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D99:(3R)-1-{4-[{4-CHLORO-2-[(S)-(2-CHLOROPHENYL)(HYDROXY)METHYL]PHENYL}(2,2-DIMETHYLPROPYL)AMINO]-4-OXOBUTANOYL}PIPERIDINE-3-CARBOXYLIC+ACID'>D99</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3q2z|3q2z]], [[3q30|3q30]]</td></tr>
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<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>
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<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>
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<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=3asx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3asx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3asx RCSB], [http://www.ebi.ac.uk/pdbsum/3asx PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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{{STRUCTURE_3asx| PDB=3asx | SCENE= }}
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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>
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===Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_21353782}}
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==See Also==
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*[[Squalene synthase|Squalene synthase]]
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==About this Structure==
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== References ==
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[[3asx]] 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=3ASX OCA].
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Squalene synthase]]
[[Category: Squalene synthase]]
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[[Category: Higashihashi, N.]]
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[[Category: Higashihashi, N]]
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[[Category: Ichikawa, M.]]
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[[Category: Ichikawa, M]]
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[[Category: Itoh, M.]]
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[[Category: Itoh, M]]
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[[Category: Katakura, S.]]
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[[Category: Katakura, S]]
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[[Category: Shimizu, H.]]
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[[Category: Shimizu, H]]
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[[Category: Sugita, K.]]
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[[Category: Sugita, K]]
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[[Category: Suzuki, M.]]
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[[Category: Suzuki, M]]
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[[Category: Usui, H.]]
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[[Category: Usui, H]]
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[[Category: Yamazaki, K.]]
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[[Category: Yamazaki, K]]
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[[Category: Yokomizo, A.]]
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[[Category: Yokomizo, A]]
[[Category: Isoprene biosynthesis]]
[[Category: Isoprene biosynthesis]]
[[Category: Lipid synthesis]]
[[Category: Lipid synthesis]]

Revision as of 23:12, 3 January 2015

Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid

3asx, resolution 2.00Å

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