4kfp

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==Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)==
==Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)==
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<StructureSection load='4kfp' size='340' side='right' caption='[[4kfp]], [[Resolution|resolution]] 1.84&Aring;' scene=''>
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<StructureSection load='4kfp' size='340' side='right'caption='[[4kfp]], [[Resolution|resolution]] 1.84&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4kfp]] 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=4KFP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KFP FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4kfp]] 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=4KFP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KFP 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=1R7:N-(4-{[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]SULFONYL}BENZYL)-2H-PYRROLO[3,4-C]PYRIDINE-2-CARBOXAMIDE'>1R7</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=1R7:N-(4-{[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]SULFONYL}BENZYL)-2H-PYRROLO[3,4-C]PYRIDINE-2-CARBOXAMIDE'>1R7</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='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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4kfp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kfp OCA], [https://pdbe.org/4kfp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kfp RCSB], [https://www.ebi.ac.uk/pdbsum/4kfp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kfp ProSAT]</span></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=4kfp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kfp OCA], [http://pdbe.org/4kfp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4kfp RCSB], [http://www.ebi.ac.uk/pdbsum/4kfp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4kfp 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: Bair, K W]]
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[[Category: Bair KW]]
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[[Category: Baumeister, T]]
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[[Category: Baumeister T]]
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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: Ho Y]]
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[[Category: Ho, Y]]
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[[Category: Liederer BM]]
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[[Category: Liederer, B M]]
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[[Category: Liu X]]
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[[Category: Liu, X]]
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[[Category: O'Brien T]]
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[[Category: Oeh, J]]
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[[Category: Oeh J]]
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[[Category: Sampath, D]]
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[[Category: Sampath D]]
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[[Category: Skelton, N]]
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[[Category: Skelton N]]
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[[Category: Wang, L]]
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[[Category: Wang L]]
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[[Category: Wang, W]]
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[[Category: Wang W]]
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[[Category: Wu, H]]
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[[Category: Wu H]]
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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: Zhang, L]]
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[[Category: Zhang L]]
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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 11:56, 30 November 2022

Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)

PDB ID 4kfp

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OCA

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