3asx

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'''Unreleased structure'''
 
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The entry 3asx is ON HOLD until Dec 22 2012
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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 [https://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 [https://proteopedia.org/fgij/fg.htm?mol=3ASX FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3asx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3asx OCA], [https://pdbe.org/3asx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3asx RCSB], [https://www.ebi.ac.uk/pdbsum/3asx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3asx ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/FDFT_HUMAN FDFT_HUMAN]
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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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Authors: Shimizu, H., Suzuki, M., Katakura, S., Yamazaki, K., Higashihashi, N., Ichikawa, M., Yokomizo, A., Itoh, M., Sugita, K., Usui, H.
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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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Description: 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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<div class="pdbe-citations 3asx" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Squalene synthase|Squalene synthase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Higashihashi N]]
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[[Category: Ichikawa M]]
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[[Category: Itoh M]]
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[[Category: Katakura S]]
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[[Category: Shimizu H]]
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[[Category: Sugita K]]
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[[Category: Suzuki M]]
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[[Category: Usui H]]
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[[Category: Yamazaki K]]
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[[Category: Yokomizo A]]

Current revision

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

PDB ID 3asx

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