2jid: Difference between revisions

Revision as of 04:19, 29 September 2014

Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine

Structural highlights

2jid is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	GVB, NAG
Related:	1j2e, 1n1m, 1nu6, 1nu8, 1pfq, 1r9m, 1r9n, 1rwq, 1tk3, 1tkr, 1u8e, 1w1i, 1wcy, 1x70, 2ajl, 2bgn, 2bgr, 2bub, 2g5p, 2g5t, 2g63
Activity:	Dipeptidyl-peptidase IV, with EC number 3.4.14.5
Resources:	FirstGlance, OCA, RCSB, PDBsum

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

In a search for novel DPP-IV inhibitors, 2-aminobenzo[a]quinolizines were identified as submicromolar HTS hits. Due to the difficult synthetic access to this compound class, 1,3-disubstituted 4-aminopiperidines were used as model compounds for optimization. The developed synthetic methodology and the SAR could be transferred to the 2-aminobenzo[a]quinolizine series, leading to highly active DPP-IV inhibitors.

1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors.,Lubbers T, Bohringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Loffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P Bioorg Med Chem Lett. 2007 Jun 1;17(11):2966-70. Epub 2007 Mar 25. PMID:17418568^[1]

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

References

↑ Lubbers T, Bohringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Loffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P. 1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett. 2007 Jun 1;17(11):2966-70. Epub 2007 Mar 25. PMID:17418568 doi:10.1016/j.bmcl.2007.03.072

Proteopedia Page Contributors and Editors (what is this?)

OCA

[1] Lubbers T, Bohringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Loffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P. 1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett. 2007 Jun 1;17(11):2966-70. Epub 2007 Mar 25. PMID:17418568 doi:10.1016/j.bmcl.2007.03.072

[1]

@@ Line 1: / Line 1: @@
-[[Image:2jid.png|left|200px]]
+==Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine==
+<StructureSection load='2jid' size='340' side='right' caption='[[2jid]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2jid]] is a 2 chain structure with 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=2JID OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2JID FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GVB:(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE'>GVB</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1j2e|1j2e]], [[1n1m|1n1m]], [[1nu6|1nu6]], [[1nu8|1nu8]], [[1pfq|1pfq]], [[1r9m|1r9m]], [[1r9n|1r9n]], [[1rwq|1rwq]], [[1tk3|1tk3]], [[1tkr|1tkr]], [[1u8e|1u8e]], [[1w1i|1w1i]], [[1wcy|1wcy]], [[1x70|1x70]], [[2ajl|2ajl]], [[2bgn|2bgn]], [[2bgr|2bgr]], [[2bub|2bub]], [[2g5p|2g5p]], [[2g5t|2g5t]], [[2g63|2g63]]</td></tr>
+<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2jid FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jid OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2jid RCSB], [http://www.ebi.ac.uk/pdbsum/2jid PDBsum]</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/ji/2jid_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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/chain_selection.php?pdb_ID=2ata ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+In a search for novel DPP-IV inhibitors, 2-aminobenzo[a]quinolizines were identified as submicromolar HTS hits. Due to the difficult synthetic access to this compound class, 1,3-disubstituted 4-aminopiperidines were used as model compounds for optimization. The developed synthetic methodology and the SAR could be transferred to the 2-aminobenzo[a]quinolizine series, leading to highly active DPP-IV inhibitors.
-{{STRUCTURE_2jid|  PDB=2jid  |  SCENE=  }}
+,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors.,Lubbers T, Bohringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Loffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P Bioorg Med Chem Lett. 2007 Jun 1;17(11):2966-70. Epub 2007 Mar 25. PMID:17418568<ref>PMID:17418568</ref>
-===Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_17418568}}
-==About this Structure==
-[[2jid]] is a 2 chain structure with 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=2JID OCA].
 ==See Also==
 *[[Dipeptidyl peptidase|Dipeptidyl peptidase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:017418568</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Dipeptidyl-peptidase IV]]
 [[Category: Homo sapiens]]

2jid: Difference between revisions

Revision as of 04:19, 29 September 2014

Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine

Structural highlights

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

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