6x5j
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 6x5j is ON HOLD until sometime in the future Authors: Jayne, C.L., Andreani, T., Chan, T., Chelliah, M.V., Clasby, M.C., Dwyer, M., Eagen, K.A., Fri...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors== | |
| + | <StructureSection load='6x5j' size='340' side='right'caption='[[6x5j]], [[Resolution|resolution]] 2.51Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6X5J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6X5J FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.513Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6NH:2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>6NH</scene>, <scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=6x5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6x5j OCA], [https://pdbe.org/6x5j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6x5j RCSB], [https://www.ebi.ac.uk/pdbsum/6x5j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6x5j ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The synthesis and structure activity relationship development of a pyrimidine series of heterocyclic Factor IXa inhibitors is described. Increased selectivity over Factor Xa inhibition was achieved through SAR expansion of the P1 element. Select compounds were evaluated in vivo to assess their plasma levels in rat. | ||
| - | + | Discovery of hydroxy pyrimidine Factor IXa inhibitors.,Jayne CL, Andreani T, Chan TY, Chelliah MV, Clasby MC, Dwyer M, Eagen KA, Fried S, Greenlee WJ, Guo Z, Hawes B, Hruza A, Ingram R, Keertikar KM, Neelamkavil S, Reichert P, Xia Y, Chackalamannil S Bioorg Med Chem Lett. 2020 Aug 1;30(15):127279. doi: 10.1016/j.bmcl.2020.127279. , Epub 2020 May 23. PMID:32527459<ref>PMID:32527459</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 6x5j" style="background-color:#fffaf0;"></div> |
| - | [[Category: Chackalamannil | + | |
| - | [[Category: | + | ==See Also== |
| - | [[Category: | + | *[[Factor IX 3D structures|Factor IX 3D structures]] |
| - | [[Category: | + | == References == |
| - | [[Category: | + | <references/> |
| - | [[Category: | + | __TOC__ |
| - | [[Category: | + | </StructureSection> |
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: | + | [[Category: Andreani T]] |
| - | [[Category: | + | [[Category: Chackalamannil S]] |
| - | [[Category: | + | [[Category: Chan T]] |
| - | [[Category: | + | [[Category: Chelliah MV]] |
| - | [[Category: Jayne | + | [[Category: Clasby MC]] |
| - | [[Category: Keertikar | + | [[Category: Dwyer M]] |
| - | [[Category: | + | [[Category: Eagen KA]] |
| - | [[Category: | + | [[Category: Fried S]] |
| - | [[Category: | + | [[Category: Greenlee WJ]] |
| + | [[Category: Guo Z]] | ||
| + | [[Category: Hawes B]] | ||
| + | [[Category: Hruza A]] | ||
| + | [[Category: Ingram R]] | ||
| + | [[Category: Jayne CL]] | ||
| + | [[Category: Keertikar KM]] | ||
| + | [[Category: Neelamkavil S]] | ||
| + | [[Category: Reichert P]] | ||
| + | [[Category: Xia Y]] | ||
Current revision
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
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Categories: Large Structures | Andreani T | Chackalamannil S | Chan T | Chelliah MV | Clasby MC | Dwyer M | Eagen KA | Fried S | Greenlee WJ | Guo Z | Hawes B | Hruza A | Ingram R | Jayne CL | Keertikar KM | Neelamkavil S | Reichert P | Xia Y
