4wgi: Difference between revisions
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==A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)== | ==A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)== | ||
<StructureSection load='4wgi' size='340' side='right' caption='[[4wgi]], [[Resolution|resolution]] 1.85Å' scene=''> | <StructureSection load='4wgi' size='340' side='right' caption='[[4wgi]], [[Resolution|resolution]] 1.85Å' scene=''> | ||
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<table><tr><td colspan='2'>[[4wgi]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WGI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WGI FirstGlance]. <br> | <table><tr><td colspan='2'>[[4wgi]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WGI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WGI FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3M6:(2S)-2-[(2S,3R)-10-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-3-METHYL-2-[(METHYL{[4-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}AMINO)METHYL]-6-OXO-3,4-DIHYDRO-2H-1,5-BENZOXAZOCIN-5(6H)-YL]PROPANOIC+ACID'>3M6</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=MAL:MALTOSE'>MAL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3M6:(2S)-2-[(2S,3R)-10-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-3-METHYL-2-[(METHYL{[4-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}AMINO)METHYL]-6-OXO-3,4-DIHYDRO-2H-1,5-BENZOXAZOCIN-5(6H)-YL]PROPANOIC+ACID'>3M6</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=MAL:MALTOSE'>MAL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | ||
<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=4wgi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wgi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wgi RCSB], [http://www.ebi.ac.uk/pdbsum/4wgi PDBsum]</span></td></tr> | <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=4wgi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wgi OCA], [http://pdbe.org/4wgi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wgi RCSB], [http://www.ebi.ac.uk/pdbsum/4wgi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wgi ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4wgi" style="background-color:#fffaf0;"></div> | |||
== References == | == References == | ||
<references/> | <references/> | ||
Revision as of 18:49, 4 August 2016
A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
Structural highlights
Function[MALE_ECO57] Involved in the high-affinity maltose membrane transport system MalEFGK. Initial receptor for the active transport of and chemotaxis toward maltooligosaccharides (By similarity). Publication Abstract from PubMedA direct binding screen of 100 000 sp(3)-rich molecules identified a single diastereomer of a macrolactam core that binds specifically to myeloid cell leukemia 1 (MCL1). A comprehensive toolbox of biophysical methods was applied to validate the original hit and subsequent analogues and also established a binding mode competitive with NOXA BH3 peptide. X-ray crystallography of ligand bound to MCL1 reveals a remarkable ligand/protein shape complementarity that diverges from previously disclosed MCL1 inhibitor costructures. Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).,Fang C, D'Souza B, Thompson CF, Clifton MC, Fairman JW, Fulroth B, Leed A, McCarren P, Wang L, Wang Y, Feau C, Kaushik VK, Palmer M, Wei G, Golub TR, Hubbard BK, Serrano-Wu MH ACS Med Chem Lett. 2014 Nov 11;5(12):1308-12. doi: 10.1021/ml500388q. eCollection, 2014 Dec 11. PMID:25516789[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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