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4bb6

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Current revision (10:58, 9 May 2024) (edit) (undo)
 
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<StructureSection load='4bb6' size='340' side='right'caption='[[4bb6]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
<StructureSection load='4bb6' size='340' side='right'caption='[[4bb6]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4bb6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BB6 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4bb6]] 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=4BB6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BB6 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=HD1:6-(4-METHYLPIPERAZIN-1-YL)-N-[(1R,3S)-5-OXIDANYL-2-ADAMANTYL]-2-PROPYLSULFANYL-PYRIDINE-3-CARBOXAMIDE'>HD1</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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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]] 2.55&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1xu7|1xu7]], [[1xu9|1xu9]], [[2bel|2bel]], [[4bb5|4bb5]]</div></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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=HD1:6-(4-METHYLPIPERAZIN-1-YL)-N-[(1R,3S)-5-OXIDANYL-2-ADAMANTYL]-2-PROPYLSULFANYL-PYRIDINE-3-CARBOXAMIDE'>HD1</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/11-beta-hydroxysteroid_dehydrogenase 11-beta-hydroxysteroid dehydrogenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.146 1.1.1.146] </span></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=4bb6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb6 OCA], [https://pdbe.org/4bb6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bb6 RCSB], [https://www.ebi.ac.uk/pdbsum/4bb6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb6 ProSAT]</span></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=4bb6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb6 OCA], [https://pdbe.org/4bb6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bb6 RCSB], [https://www.ebi.ac.uk/pdbsum/4bb6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb6 ProSAT]</span></td></tr>
</table>
</table>
== Disease ==
== Disease ==
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[[https://www.uniprot.org/uniprot/DHI1_HUMAN DHI1_HUMAN]] Defects in HSD11B1 are a cause of cortisone reductase deficiency (CRD) [MIM:[https://omim.org/entry/604931 604931]]. In CRD, activation of cortisone to cortisol does not occur, resulting in adrenocorticotropin-mediated androgen excess and a phenotype resembling polycystic ovary syndrome (PCOS).
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[https://www.uniprot.org/uniprot/DHI1_HUMAN DHI1_HUMAN] Defects in HSD11B1 are a cause of cortisone reductase deficiency (CRD) [MIM:[https://omim.org/entry/604931 604931]. In CRD, activation of cortisone to cortisol does not occur, resulting in adrenocorticotropin-mediated androgen excess and a phenotype resembling polycystic ovary syndrome (PCOS).
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/DHI1_HUMAN DHI1_HUMAN]] Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7-ketocholesterol to 7-beta-hydroxycholesterol (By similarity).
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[https://www.uniprot.org/uniprot/DHI1_HUMAN DHI1_HUMAN] Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7-ketocholesterol to 7-beta-hydroxycholesterol (By similarity).
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: 11-beta-hydroxysteroid dehydrogenase]]
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[[Category: Homo sapiens]]
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[[Category: Human]]
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[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Bennett, S N.L]]
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[[Category: Bennett SNL]]
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[[Category: Bodin, C]]
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[[Category: Bodin C]]
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[[Category: Donald, C S]]
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[[Category: Donald CS]]
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[[Category: Goldberg, F W]]
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[[Category: Goldberg FW]]
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[[Category: Groombridge, S D]]
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[[Category: Groombridge SD]]
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[[Category: Gutierrez, P Morentin]]
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[[Category: Gyte AC]]
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[[Category: Gyte, A C]]
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[[Category: Leach AG]]
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[[Category: Leach, A G]]
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[[Category: Morentin Gutierrez P]]
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[[Category: Scott, J S]]
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[[Category: Scott JS]]
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[[Category: Snelson, W L]]
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[[Category: Snelson WL]]
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[[Category: Bhsd]]
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[[Category: Oxidoreductase]]
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Current revision

Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors

PDB ID 4bb6

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