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4w9p

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(New page: '''Unreleased structure''' The entry 4w9p is ON HOLD until Paper Publication Authors: Pomplun, S., Wang, Y., Kirschner, K., Kozany, C., Bracher, A., Hausch, F. Description:)
Current revision (10:41, 10 January 2024) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 4w9p is ON HOLD until Paper Publication
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==The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one==
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<StructureSection load='4w9p' size='340' side='right'caption='[[4w9p]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4w9p]] is a 2 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=4W9P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4W9P 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]] 1.5&#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=3JR:(1S,5S,6R)-10-[(3,5-DICHLOROPHENYL)SULFONYL]-5-[(1S)-1,2-DIHYDROXYETHYL]-3-[2-(3,4-DIMETHOXYPHENOXY)ETHYL]-3,10-DIAZABICYCLO[4.3.1]DECAN-2-ONE'>3JR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</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=4w9p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4w9p OCA], [https://pdbe.org/4w9p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4w9p RCSB], [https://www.ebi.ac.uk/pdbsum/4w9p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4w9p ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/FKBP5_HUMAN FKBP5_HUMAN] Interacts with functionally mature heterooligomeric progesterone receptor complexes along with HSP90 and TEBP.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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Authors: Pomplun, S., Wang, Y., Kirschner, K., Kozany, C., Bracher, A., Hausch, F.
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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>
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Description:
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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 4w9p" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[FKBP 3D structures|FKBP 3D structures]]
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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: Bracher A]]
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[[Category: Hausch F]]
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[[Category: Kirschner K]]
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[[Category: Kozany C]]
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[[Category: Pomplun S]]
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[[Category: Wang Y]]

Current revision

The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

PDB ID 4w9p

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