7f61
From Proteopedia
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<table><tr><td colspan='2'>[[7f61]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7F61 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7F61 FirstGlance]. <br> | <table><tr><td colspan='2'>[[7f61]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7F61 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7F61 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]] 2.6Å</td></tr> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6Å</td></tr> | ||
| - | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1IB:N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide'>1IB</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene></td></tr> | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1IB:~{N}-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide'>1IB</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</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=7f61 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7f61 OCA], [https://pdbe.org/7f61 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7f61 RCSB], [https://www.ebi.ac.uk/pdbsum/7f61 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7f61 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=7f61 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7f61 OCA], [https://pdbe.org/7f61 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7f61 RCSB], [https://www.ebi.ac.uk/pdbsum/7f61 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7f61 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
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<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| - | The histamine receptors belong to the G protein-coupled receptor (GPCR) superfamily, and play important roles in the regulation of histamine and other neurotransmitters in the central nervous system, as potential targets for the treatment of neurologic and psychiatric disorders. Here we report the crystal structure of human histamine receptor | + | The histamine receptors belong to the G protein-coupled receptor (GPCR) superfamily, and play important roles in the regulation of histamine and other neurotransmitters in the central nervous system, as potential targets for the treatment of neurologic and psychiatric disorders. Here we report the crystal structure of human histamine receptor H(3)R bound to an antagonist PF-03654746 at 2.6 A resolution. Combined with the computational and functional assays, our structure reveals binding modes of the antagonist and allosteric cholesterol. Molecular dynamic simulations and molecular docking of different antihistamines further elucidate the conserved ligand-binding modes. These findings are therefore expected to facilitate the structure-based design of novel antihistamines. |
Structural basis for recognition of antihistamine drug by human histamine receptor.,Peng X, Yang L, Liu Z, Lou S, Mei S, Li M, Chen Z, Zhang H Nat Commun. 2022 Oct 15;13(1):6105. doi: 10.1038/s41467-022-33880-y. PMID:36243875<ref>PMID:36243875</ref> | Structural basis for recognition of antihistamine drug by human histamine receptor.,Peng X, Yang L, Liu Z, Lou S, Mei S, Li M, Chen Z, Zhang H Nat Commun. 2022 Oct 15;13(1):6105. doi: 10.1038/s41467-022-33880-y. PMID:36243875<ref>PMID:36243875</ref> | ||
Current revision
Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746
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