2ajl: Difference between revisions
New page: left|200px<br /> <applet load="2ajl" size="450" color="white" frame="true" align="right" spinBox="true" caption="2ajl, resolution 2.5Å" /> '''X-ray Structure of N... |
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== | ==X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor== | ||
The discovery, SAR, and X-ray crystal structure of novel | <StructureSection load='2ajl' size='340' side='right'caption='[[2ajl]], [[Resolution|resolution]] 2.50Å' scene=''> | ||
== Structural highlights == | |||
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AJL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AJL 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]] 2.5Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JNH:1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE'>JNH</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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=2ajl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ajl OCA], [https://pdbe.org/2ajl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ajl RCSB], [https://www.ebi.ac.uk/pdbsum/2ajl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ajl ProSAT]</span></td></tr> | |||
</table> | |||
== Evolutionary Conservation == | |||
[[Image:Consurf_key_small.gif|200px|right]] | |||
Check<jmol> | |||
<jmolCheckbox> | |||
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/aj/2ajl_consurf.spt"</scriptWhenChecked> | |||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked> | |||
<text>to colour the structure by Evolutionary Conservation</text> | |||
</jmolCheckbox> | |||
</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=2ajl ConSurf]. | |||
<div style="clear:both"></div> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The discovery, SAR, and X-ray crystal structure of novel biarylaminoacyl-(S)-2-cyano-pyrrolidines and biarylaminoacylthiazolidines as potent inhibitors of dipeptidyl peptidase IV (DPP IV) are reported. | |||
Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors.,Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ Bioorg Med Chem Lett. 2006 Jan 1;16(1):123-8. Epub 2005 Oct 19. PMID:16236500<ref>PMID:16236500</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 2ajl" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Dipeptidyl peptidase 3D structures|Dipeptidyl peptidase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Abad MC]] | |||
[[Category: Baumann CA]] | |||
[[Category: Bayoumy SS]] | |||
[[Category: Crysler CS]] | |||
[[Category: DesJarlais RL]] | |||
[[Category: Kervinen J]] | |||
[[Category: Neeper MP]] | |||
[[Category: Ninan NS]] | |||
[[Category: Qiao L]] | |||
[[Category: Spurlino JC]] | |||
