3dbe: Difference between revisions
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<StructureSection load='3dbe' size='340' side='right'caption='[[3dbe]], [[Resolution|resolution]] 3.32Å' scene=''> | <StructureSection load='3dbe' size='340' side='right'caption='[[3dbe]], [[Resolution|resolution]] 3.32Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3dbe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[3dbe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DBE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DBE FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4FR:3-CHLORO-5-[6-({2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]PHENYL}AMINO)-3-METHYL-1H-PYRAZOLO[4,3-C]PYRIDIN-1-YL]BIPHENYL-2-CARBOXAMIDE'>4FR</scene | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.32Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4FR:3-CHLORO-5-[6-({2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]PHENYL}AMINO)-3-METHYL-1H-PYRAZOLO[4,3-C]PYRIDIN-1-YL]BIPHENYL-2-CARBOXAMIDE'>4FR</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3dbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dbe OCA], [https://pdbe.org/3dbe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dbe RCSB], [https://www.ebi.ac.uk/pdbsum/3dbe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dbe ProSAT]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3dbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dbe OCA], [https://pdbe.org/3dbe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dbe RCSB], [https://www.ebi.ac.uk/pdbsum/3dbe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dbe ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/Q4KMI8_DANRE Q4KMI8_DANRE] | |||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Danio rerio]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Barr KJ]] | |||
[[Category: Barr | [[Category: Elling RA]] | ||
[[Category: Elling | [[Category: Romanowski MJ]] | ||
[[Category: Romanowski | |||
Latest revision as of 15:44, 30 August 2023
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557
Structural highlights
FunctionEvolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedA series of 2-amino-pyrazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors based on a low micromolar hit. The SAR was developed to provide compounds exhibiting low nanomolar inhibitory activity of Plk1; the phenotype of treated cells is consistent with Plk1 inhibition. A co-crystal structure of one of these compounds with zPlk1 confirms an ATP-competitive binding mode. Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.,Fucini RV, Hanan EJ, Romanowski MJ, Elling RA, Lew W, Barr KJ, Zhu J, Yoburn JC, Liu Y, Fahr BT, Fan J, Lu Y, Pham P, Choong IC, VanderPorten EC, Bui M, Purkey HE, Evanchik MJ, Yang W Bioorg Med Chem Lett. 2008 Oct 15;18(20):5648-52. Epub 2008 Aug 29. PMID:18793847[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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