7erd: Difference between revisions

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-'''Unreleased structure'''
-The entry 7erd is ON HOLD  until Paper Publication
+==Crystal structure of human Biliverdin IX-beta reductase B with Flunixin Meglumin (FMG)==
+<StructureSection load='7erd' size='340' side='right'caption='[[7erd]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[7erd]] 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=7ERD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ERD 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]] 2&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JBO:2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic+acid'>JBO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=7erd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7erd OCA], [https://pdbe.org/7erd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7erd RCSB], [https://www.ebi.ac.uk/pdbsum/7erd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7erd ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/BLVRB_HUMAN BLVRB_HUMAN] Broad specificity oxidoreductase that catalyzes the NADPH-dependent reduction of a variety of flavins, such as riboflavin, FAD or FMN, biliverdins, methemoglobin and PQQ (pyrroloquinoline quinone). Contributes to heme catabolism and metabolizes linear tetrapyrroles. Can also reduce the complexed Fe(3+) iron to Fe(2+) in the presence of FMN and NADPH. In the liver, converts biliverdin to bilirubin.<ref>PMID:10620517</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Biliverdin IXbeta reductase B (BLVRB) has recently been proposed as a novel therapeutic target for thrombocytopenia through its reactive oxygen species (ROS)-associated mechanism. Thus, we aim at repurposing drugs as new inhibitors of BLVRB. Based on IC50 (&lt;5 muM), we have identified 20 compounds out of 1496 compounds from the Food and Drug Administration (FDA)-approved library and have clearly mapped their binding sites to the active site. Furthermore, we show the detailed BLVRB-binding modes and thermodynamic properties (DeltaH, DeltaS, and KD) with nuclear magnetic resonance (NMR) and isothermal titration calorimetry together with complex structures of eight water-soluble compounds. We anticipate that the results will serve as a novel platform for further in-depth studies on BLVRB effects for related functions such as ROS accumulation and megakaryocyte differentiation, and ultimately treatments of platelet disorders.
-Authors:
+Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IXbeta Reductase B as a Novel Thrombocytopenia Therapeutic Target.,Kim M, Ha JH, Choi J, Kim BR, Gapsys V, Lee KO, Jee JG, Chakrabarti KS, de Groot BL, Griesinger C, Ryu KS, Lee D J Med Chem. 2021 Dec 27. doi: 10.1021/acs.jmedchem.1c01664. PMID:34957824<ref>PMID:34957824</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 7erd" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Flavin reductase|Flavin reductase]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Griesinger C]]
+[[Category: Ha JH]]
+[[Category: Kim M]]
+[[Category: Lee D]]
+[[Category: Ryu KS]]