2ajl: Difference between revisions

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[[Image:2ajl.gif|left|200px]]


{{Structure
==X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor==
|PDB= 2ajl |SIZE=350|CAPTION= <scene name='initialview01'>2ajl</scene>, resolution 2.5&Aring;
<StructureSection load='2ajl' size='340' side='right'caption='[[2ajl]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <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>
<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>
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
|GENE= DPP4, ADCP2, CD26 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
<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>
|DOMAIN=
<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>
|RELATEDENTRY=
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ajl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ajl OCA], [http://www.ebi.ac.uk/pdbsum/2ajl PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2ajl RCSB]</span>
== Evolutionary Conservation ==
}}
[[Image:Consurf_key_small.gif|200px|right]]
 
Check<jmol>
'''X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor'''
  <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>
==Overview==
    <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.
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.


==About this Structure==
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>
2AJL is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AJL OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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:[http://www.ncbi.nlm.nih.gov/pubmed/16236500 16236500]
</div>
[[Category: Dipeptidyl-peptidase IV]]
<div class="pdbe-citations 2ajl" style="background-color:#fffaf0;"></div>
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Abad, M C.]]
[[Category: Baumann, C A.]]
[[Category: Bayoumy, S S.]]
[[Category: Crysler, C S.]]
[[Category: DesJarlais, R L.]]
[[Category: Kervinen, J.]]
[[Category: Neeper, M P.]]
[[Category: Ninan, N S.]]
[[Category: Qiao, L.]]
[[Category: Spurlino, J C.]]
[[Category: aminopeptidase]]
[[Category: hydrolase]]
[[Category: protease]]
[[Category: serine protease]]


''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:53:33 2008''
==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]]

Latest revision as of 12:44, 25 December 2024

X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitorX-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor

Structural highlights

Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.5Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

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[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ 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. Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett. 2006 Jan 1;16(1):123-8. Epub 2005 Oct 19. PMID:16236500 doi:10.1016/j.bmcl.2005.09.037

2ajl, resolution 2.50Å

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