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4hdc

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==Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)==
==Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)==
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<StructureSection load='4hdc' size='340' side='right' caption='[[4hdc]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
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<StructureSection load='4hdc' size='340' side='right'caption='[[4hdc]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4hdc]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Staan Staan]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HDC FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4hdc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_N315 Staphylococcus aureus subsp. aureus N315]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HDC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HDC 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=13Y:2-(3-CHLOROPHENOXY)-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC+ACID'>13Y</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=13Y:2-(3-CHLOROPHENOXY)-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC+ACID'>13Y</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4gfd|4gfd]], [[4gsy|4gsy]], [[4hej|4hej]]</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=4hdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hdc OCA], [https://pdbe.org/4hdc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hdc RCSB], [https://www.ebi.ac.uk/pdbsum/4hdc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hdc ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">SA0440, tmk ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=158879 STAAN])</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/dTMP_kinase dTMP kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </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=4hdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hdc OCA], [http://pdbe.org/4hdc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4hdc RCSB], [http://www.ebi.ac.uk/pdbsum/4hdc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4hdc ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/KTHY_STAAN KTHY_STAAN]] Phosphorylation of dTMP to form dTDP in both de novo and salvage pathways of dTTP synthesis.[HAMAP-Rule:MF_00165]
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[https://www.uniprot.org/uniprot/KTHY_STAAN KTHY_STAAN] Phosphorylation of dTMP to form dTDP in both de novo and salvage pathways of dTTP synthesis.[HAMAP-Rule:MF_00165]
<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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*[[Thymidylate kinase|Thymidylate kinase]]
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*[[Thymidylate kinase 3D structures|Thymidylate kinase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Staan]]
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[[Category: Large Structures]]
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[[Category: DTMP kinase]]
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[[Category: Staphylococcus aureus subsp. aureus N315]]
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[[Category: Olivier, N B]]
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[[Category: Olivier NB]]
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[[Category: Active site]]
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[[Category: Kinase]]
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[[Category: Tmp]]
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[[Category: Transferase-transferase inhibitor complex]]
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Revision as of 08:11, 3 November 2022

Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)

PDB ID 4hdc

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