2iit: Difference between revisions
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New page: left|200px<br /> <applet load="2iit" size="450" color="white" frame="true" align="right" spinBox="true" caption="2iit, resolution 2.35Å" /> '''Human dipeptidyl pe... |
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[[Image:2iit.gif|left|200px]]<br /> | [[Image:2iit.gif|left|200px]]<br /><applet load="2iit" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="2iit" size=" | |||
caption="2iit, resolution 2.35Å" /> | caption="2iit, resolution 2.35Å" /> | ||
'''Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor'''<br /> | '''Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor'''<br /> | ||
==Overview== | ==Overview== | ||
Replacement of the triazolopiperazine ring of sitagliptin (DPP-4 | Replacement of the triazolopiperazine ring of sitagliptin (DPP-4 IC(50)=18nM) with 3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one gave dipeptidyl peptidase IV (DPP-4) inhibitor 1 which is potent (DPP-4 IC(50)=2.6nM), selective, and efficacious in an oral glucose tolerance test in mice. It was selected for extensive preclinical development as a potential back-up candidate to sitagliptin. | ||
==About this Structure== | ==About this Structure== | ||
2IIT is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with NAG, NA and 872 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http:// | 2IIT is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=NA:'>NA</scene> and <scene name='pdbligand=872:'>872</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IIT OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Biftu, T.]] | [[Category: Biftu, T.]] | ||
[[Category: Scapin, G.]] | [[Category: Scapin, G.]] | ||
[[Category: Weber, A | [[Category: Weber, A E.]] | ||
[[Category: 872]] | [[Category: 872]] | ||
[[Category: NA]] | [[Category: NA]] | ||
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[[Category: hydrolase; alpha/beta; beta-propeller; dimer]] | [[Category: hydrolase; alpha/beta; beta-propeller; dimer]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:53:08 2008'' | ||
