4e28

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==Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor==
==Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor==
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<StructureSection load='4e28' size='340' side='right' caption='[[4e28]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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<StructureSection load='4e28' size='340' side='right'caption='[[4e28]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4e28]] is a 1 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=4E28 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E28 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4e28]] is a 1 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=4E28 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E28 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=0MZ:2-{(2Z,5S)-4-HYDROXY-2-[(2E)-(2-HYDROXYBENZYLIDENE)HYDRAZINYLIDENE]-2,5-DIHYDRO-1,3-THIAZOL-5-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE'>0MZ</scene>, <scene name='pdbligand=9MZ:2-{(5S)-2-[(2E)-2-(2-HYDROXYBENZYLIDENE)HYDRAZINYL]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-5-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE'>9MZ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.302&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0MZ:2-{(2Z,5S)-4-HYDROXY-2-[(2E)-(2-HYDROXYBENZYLIDENE)HYDRAZINYLIDENE]-2,5-DIHYDRO-1,3-THIAZOL-5-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE'>0MZ</scene>, <scene name='pdbligand=9MZ:2-{(5S)-2-[(2E)-2-(2-HYDROXYBENZYLIDENE)HYDRAZINYL]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-5-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE'>9MZ</scene>, <scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3egy|3egy]], [[3ehi|3ehi]]</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=4e28 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e28 OCA], [https://pdbe.org/4e28 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e28 RCSB], [https://www.ebi.ac.uk/pdbsum/4e28 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e28 ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">TYMS, TS, OK/SW-cl.29 ([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/Thymidylate_synthase Thymidylate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45] </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=4e28 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e28 OCA], [http://pdbe.org/4e28 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4e28 RCSB], [http://www.ebi.ac.uk/pdbsum/4e28 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4e28 ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/TYSY_HUMAN TYSY_HUMAN]] Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.<ref>PMID:21876188</ref>
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[https://www.uniprot.org/uniprot/TYSY_HUMAN TYSY_HUMAN] Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.<ref>PMID:21876188</ref>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 4e28" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 4e28" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Thymidylate synthase 3D structures|Thymidylate synthase 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: Thymidylate synthase]]
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[[Category: Large Structures]]
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[[Category: Costi, M P]]
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[[Category: Costi MP]]
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[[Category: Finer-Moore, J]]
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[[Category: Finer-Moore J]]
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[[Category: Stroud, R M]]
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[[Category: Stroud RM]]
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[[Category: Tochowicz, A]]
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[[Category: Tochowicz A]]
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[[Category: Hts-inhibitor complex]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor

PDB ID 4e28

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OCA

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