4n9e

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==Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)==
==Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)==
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<StructureSection load='4n9e' size='340' side='right' caption='[[4n9e]], [[Resolution|resolution]] 1.72&Aring;' scene=''>
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<StructureSection load='4n9e' size='340' side='right'caption='[[4n9e]], [[Resolution|resolution]] 1.72&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4n9e]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4N9E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4N9E FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4n9e]] 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=4N9E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4N9E FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2HL:1-[(1-BENZOYLPIPERIDIN-4-YL)METHYL]-N-(PYRIDIN-3-YL)-1H-BENZIMIDAZOLE-5-CARBOXAMIDE'>2HL</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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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=2HL:1-[(1-BENZOYLPIPERIDIN-4-YL)METHYL]-N-(PYRIDIN-3-YL)-1H-BENZIMIDAZOLE-5-CARBOXAMIDE'>2HL</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4n9b|4n9b]], [[4n9c|4n9c]], [[4n9d|4n9d]]</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=4n9e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4n9e OCA], [https://pdbe.org/4n9e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4n9e RCSB], [https://www.ebi.ac.uk/pdbsum/4n9e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4n9e ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NAMPT, PBEF, PBEF1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nicotinamide_phosphoribosyltransferase Nicotinamide phosphoribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.12 2.4.2.12] </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=4n9e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4n9e OCA], [http://pdbe.org/4n9e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4n9e RCSB], [http://www.ebi.ac.uk/pdbsum/4n9e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4n9e ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/NAMPT_HUMAN NAMPT_HUMAN]] Catalyzes the condensation of nicotinamide with 5-phosphoribosyl-1-pyrophosphate to yield nicotinamide mononucleotide, an intermediate in the biosynthesis of NAD. It is the rate limiting component in the mammalian NAD biosynthesis pathway (By similarity).
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[https://www.uniprot.org/uniprot/NAMPT_HUMAN NAMPT_HUMAN] Catalyzes the condensation of nicotinamide with 5-phosphoribosyl-1-pyrophosphate to yield nicotinamide mononucleotide, an intermediate in the biosynthesis of NAD. It is the rate limiting component in the mammalian NAD biosynthesis pathway (By similarity).
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Phosphoribosyltransferase|Phosphoribosyltransferase]]
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*[[Phosphoribosyltransferase 3D structures|Phosphoribosyltransferase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Nicotinamide phosphoribosyltransferase]]
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[[Category: Large Structures]]
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[[Category: Baumeister, T]]
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[[Category: Baumeister T]]
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[[Category: Bravo, B]]
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[[Category: Bravo B]]
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[[Category: Brien, T O]]
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[[Category: Dragovich PS]]
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[[Category: Dragovich, P S]]
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[[Category: Giannetti AM]]
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[[Category: Giannetti, A M]]
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[[Category: Ho Y]]
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[[Category: Ho, Y]]
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[[Category: Hua R]]
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[[Category: Hua, R]]
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[[Category: Li G]]
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[[Category: Li, G]]
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[[Category: Liang X]]
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[[Category: Liang, X]]
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[[Category: O'Brien T]]
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[[Category: Oh, A]]
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[[Category: Oh A]]
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[[Category: Skelton, N J]]
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[[Category: Skelton NJ]]
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[[Category: Wang, C]]
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[[Category: Wang C]]
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[[Category: Wang, W]]
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[[Category: Wang W]]
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[[Category: Wang, Y]]
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[[Category: Wang Y]]
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[[Category: Xiao, Y]]
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[[Category: Xiao Y]]
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[[Category: Yuen, P]]
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[[Category: Yuen P]]
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[[Category: Zak, M]]
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[[Category: Zak M]]
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[[Category: Zhao, G]]
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[[Category: Zhao G]]
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[[Category: Zhao, Q]]
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[[Category: Zhao Q]]
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[[Category: Zheng, X]]
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[[Category: Zheng X]]
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[[Category: Transferase-transferase inhibitor complex]]
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Revision as of 08:15, 11 January 2023

Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)

PDB ID 4n9e

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