6szq

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m (Protected "6szq" [edit=sysop:move=sysop])
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'''Unreleased structure'''
 
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The entry 6szq is ON HOLD
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==Crystal structure of human DDAH-1==
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<StructureSection load='6szq' size='340' side='right'caption='[[6szq]], [[Resolution|resolution]] 2.41&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[6szq]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6SZQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6SZQ FirstGlance]. <br>
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</td></tr><tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dimethylargininase Dimethylargininase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.3.18 3.5.3.18] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6szq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6szq OCA], [http://pdbe.org/6szq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6szq RCSB], [http://www.ebi.ac.uk/pdbsum/6szq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6szq ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/DDAH1_HUMAN DDAH1_HUMAN]] Hydrolyzes N(G),N(G)-dimethyl-L-arginine (ADMA) and N(G)-monomethyl-L-arginine (MMA) which act as inhibitors of NOS. Has therefore a role in the regulation of nitric oxide generation.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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N-(4-aminobutyl)-N'-(2-methoxyethyl)guanidine (8a) is as a potent inhibitor targeting the hDDAH-1 active site (Ki = 18 microM) and derived from a series of guanidine- and amidine-based inhibitors. Its non-amino acid nature leads to high selectivities towards other enzymes of the nitric oxide-modulating system. Crystallographic data of 8a-bound hDDAH-1 illuminated a unique binding mode. Together with its developed N-hydroxyguanidine prodrug 11, 8a will serve as a most widely applicable, currently available pharmacological tool to target DDAH-1-associated diseases.
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Authors:
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Discovery of N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine as the First Selective, Non-Amino Acid, Catalytic Site Inhibitor of human dimethylarginine dimethylaminohydrolase-1 (hDDAH-1).,Lunk I, Litty FA, Hennig S, Vetter IR, Kotthaus J, Altmann KS, Ott G, Havemeyer A, Carrillo Garcia C, Clement B, Schade D J Med Chem. 2019 Dec 16. doi: 10.1021/acs.jmedchem.9b01230. PMID:31841335<ref>PMID:31841335</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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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 6szq" style="background-color:#fffaf0;"></div>
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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: Dimethylargininase]]
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[[Category: Large Structures]]
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[[Category: Hennig, S]]
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[[Category: Schade, D]]
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[[Category: Vetter, I R]]
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[[Category: Dimethylarginine dimethylaminohydrolase]]
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[[Category: Guanidine inhibitor]]
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[[Category: Hydrolase]]
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[[Category: Induced fit]]
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[[Category: Prodrug]]

Revision as of 09:18, 25 December 2019

Crystal structure of human DDAH-1

PDB ID 6szq

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