4w9q
From Proteopedia
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| - | ''' | + | ==The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one== |
| + | <StructureSection load='4w9q' size='340' side='right' caption='[[4w9q]], [[Resolution|resolution]] 1.08Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4w9q]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4W9Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4W9Q FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3JP:(1S,5S,6R)-10-[(3,5-DICHLOROPHENYL)SULFONYL]-3-[2-(3,4-DIMETHOXYPHENOXY)ETHYL]-5-ETHYL-3,10-DIAZABICYCLO[4.3.1]DECAN-2-ONE'>3JP</scene></td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=4w9q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4w9q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4w9q RCSB], [http://www.ebi.ac.uk/pdbsum/4w9q PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | To create highly efficient inhibitors for FK506-binding proteins, a new asymmetric synthesis for pro-(S)-C5 -branched [4.3.1] aza-amide bicycles was developed. The key step of the synthesis is an HF-driven N-acyliminium cyclization. Functionalization of the C5 moiety resulted in novel protein contacts with the psychiatric risk factor FKBP51, which led to a more than 280-fold enhancement in affinity. The most potent ligands facilitated the differentiation of N2a neuroblastoma cells with low nanomolar potency. | ||
| - | + | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).,Pomplun S, Wang Y, Kirschner A, Kozany C, Bracher A, Hausch F Angew Chem Int Ed Engl. 2014 Nov 20. doi: 10.1002/anie.201408776. PMID:25412894<ref>PMID:25412894</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Peptidylprolyl isomerase]] | ||
| + | [[Category: Bracher, A]] | ||
| + | [[Category: Hausch, F]] | ||
| + | [[Category: Kirschner, K]] | ||
| + | [[Category: Kozany, C]] | ||
| + | [[Category: Pomplun, S]] | ||
| + | [[Category: Wang, Y]] | ||
| + | [[Category: Fk-506 binding domain]] | ||
| + | [[Category: Hsp90 cochaperone]] | ||
| + | [[Category: Immunophiline]] | ||
| + | [[Category: Isomerase]] | ||
| + | [[Category: Ligand selectivity]] | ||
| + | [[Category: Peptidyl-prolyl isomerase]] | ||
Revision as of 09:20, 3 December 2014
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one
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