5kd9: Difference between revisions

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-'''Unreleased structure'''
-The entry 5kd9 is ON HOLD  until Paper Publication
+==Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative==
+<StructureSection load='5kd9' size='340' side='right'caption='[[5kd9]], [[Resolution|resolution]] 1.78&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5kd9]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=5bq4 5bq4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KD9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5KD9 FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.78&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OBT:(1S,2R,4S)-N-(4-CHLOROPHENYL)-5,6-BIS(4-HYDROXYPHENYL)-N-(2,2,2-TRIFLUOROETHYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONAMIDE'>OBT</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5kd9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kd9 OCA], [https://pdbe.org/5kd9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5kd9 RCSB], [https://www.ebi.ac.uk/pdbsum/5kd9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5kd9 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/ESR1_HUMAN ESR1_HUMAN] Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Ligand-dependent nuclear transactivation involves either direct homodimer binding to a palindromic estrogen response element (ERE) sequence or association with other DNA-binding transcription factors, such as AP-1/c-Jun, c-Fos, ATF-2, Sp1 and Sp3, to mediate ERE-independent signaling. Ligand binding induces a conformational change allowing subsequent or combinatorial association with multiprotein coactivator complexes through LXXLL motifs of their respective components. Mutual transrepression occurs between the estrogen receptor (ER) and NF-kappa-B in a cell-type specific manner. Decreases NF-kappa-B DNA-binding activity and inhibits NF-kappa-B-mediated transcription from the IL6 promoter and displace RELA/p65 and associated coregulators from the promoter. Recruited to the NF-kappa-B response element of the CCL2 and IL8 promoters and can displace CREBBP. Present with NF-kappa-B components RELA/p65 and NFKB1/p50 on ERE sequences. Can also act synergistically with NF-kappa-B to activate transcription involving respective recruitment adjacent response elements; the function involves CREBBP. Can activate the transcriptional activity of TFF1. Also mediates membrane-initiated estrogen signaling involving various kinase cascades. Isoform 3 is involved in activation of NOS3 and endothelial nitric oxide production. Isoforms lacking one or several functional domains are thought to modulate transcriptional activity by competitive ligand or DNA binding and/or heterodimerization with the full length receptor. Isoform 3 can bind to ERE and inhibit isoform 1.<ref>PMID:7651415</ref> <ref>PMID:10970861</ref> <ref>PMID:9328340</ref> <ref>PMID:10681512</ref> <ref>PMID:10816575</ref> <ref>PMID:11477071</ref> <ref>PMID:11682626</ref> <ref>PMID:15078875</ref> <ref>PMID:16043358</ref> <ref>PMID:15891768</ref> <ref>PMID:16684779</ref> <ref>PMID:18247370</ref> <ref>PMID:17932106</ref> <ref>PMID:19350539</ref> <ref>PMID:20705611</ref> <ref>PMID:21937726</ref> <ref>PMID:21330404</ref> <ref>PMID:22083956</ref>
-Authors: Nwachukwu, J.C., Srinivasan, S., Bruno, N.E., Dharmarajan, V., Goswami, D., Kastrati, I., Novick, S., Nowak, J., Zhou, H.B., Boonmuen, N., Zhao, Y., Min, J., Frasor, J., Katzenellenbogen, B.S., Griffin, P.R., Katzenellenbogen, J.A., Nettles, K.W.
+==See Also==
+*[[Estrogen receptor 3D structures|Estrogen receptor 3D structures]]
-Description: Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative
+== References ==
-[[Category: Unreleased Structures]]
+<references/>
-[[Category: Kastrati, I]]
+__TOC__
-[[Category: Nwachukwu, J.C]]
+</StructureSection>
-[[Category: Novick, S]]
+[[Category: Homo sapiens]]
-[[Category: Katzenellenbogen, J.A]]
+[[Category: Large Structures]]
-[[Category: Boonmuen, N]]
+[[Category: Boonmuen N]]
-[[Category: Bruno, N.E]]
+[[Category: Bruno NE]]
-[[Category: Srinivasan, S]]
+[[Category: Dharmarajan V]]
-[[Category: Min, J]]
+[[Category: Frasor J]]
-[[Category: Griffin, P.R]]
+[[Category: Goswami D]]
-[[Category: Dharmarajan, V]]
+[[Category: Griffin PR]]
-[[Category: Zhao, Y]]
+[[Category: Kastrati I]]
-[[Category: Goswami, D]]
+[[Category: Katzenellenbogen BS]]
-[[Category: Katzenellenbogen, B.S]]
+[[Category: Katzenellenbogen JA]]
-[[Category: Frasor, J]]
+[[Category: Min J]]
-[[Category: Nowak, J]]
+[[Category: Nettles KW]]
-[[Category: Nettles, K.W]]
+[[Category: Novick S]]
-[[Category: Zhou, H.B]]
+[[Category: Nowak J]]
+[[Category: Nwachukwu JC]]
+[[Category: Srinivasan S]]
+[[Category: Zhao Y]]
+[[Category: Zhou HB]]