3kcf: Difference between revisions

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== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3kcf]] is a 5 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=3KCF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KCF FirstGlance]. <br>
<table><tr><td colspan='2'>[[3kcf]] is a 5 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=3KCF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KCF FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JZO:4-[3-(METHOXYMETHYL)PHENYL]-1,2-DIMETHYL-5-QUINOXALIN-6-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE'>JZO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JZO:4-[3-(METHOXYMETHYL)PHENYL]-1,2-DIMETHYL-5-QUINOXALIN-6-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE'>JZO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=3kcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kcf OCA], [https://pdbe.org/3kcf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kcf RCSB], [https://www.ebi.ac.uk/pdbsum/3kcf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kcf 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=3kcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kcf OCA], [https://pdbe.org/3kcf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kcf RCSB], [https://www.ebi.ac.uk/pdbsum/3kcf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kcf ProSAT]</span></td></tr>
</table>
</table>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3kcf ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3kcf ConSurf].
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== Publication Abstract from PubMed ==
Interruption of TGFbeta signaling through inhibition of the TGFbetaR1 kinase domain may prove to have beneficial effect in both fibrotic and oncological diseases. Herein we describe the SAR of a novel series of TGFbetaR1 kinase inhibitors containing a pyrazolone core. Most TGFbetaR1 kinase inhibitors described to date contain a core five-membered ring bearing N as H-bond acceptor. Described herein is a novel strategy to replace the core structure with pyrazolone ring, in which the carbonyl group is designed as an H-bond acceptor to interact with catalytic Lys 232.
Pyrazolone based TGFbetaR1 kinase inhibitors.,Guckian K, Carter MB, Lin EY, Choi M, Sun L, Boriack-Sjodin PA, Chuaqui C, Lane B, Cheung K, Ling L, Lee WC Bioorg Med Chem Lett. 2010 Jan 1;20(1):326-9. Epub 2009 Oct 29. PMID:19914068<ref>PMID:19914068</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 3kcf" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
Retrieved from "https://proteopedia.org/3kcf"