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2bub

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[[Image:2bub.gif|left|200px]]
[[Image:2bub.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2bub |SIZE=350|CAPTION= <scene name='initialview01'>2bub</scene>, resolution 2.66&Aring;
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The line below this paragraph, containing "STRUCTURE_2bub", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Fpb+Binding+Site+For+Chain+B'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=FPB:N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE'>FPB</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|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>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2bub| PDB=2bub | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bub FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bub OCA], [http://www.ebi.ac.uk/pdbsum/2bub PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bub RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (CD26) IN COMPLEX WITH A REVERSED AMIDE INHIBITOR'''
'''CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (CD26) IN COMPLEX WITH A REVERSED AMIDE INHIBITOR'''
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[[Category: Rummey, C.]]
[[Category: Rummey, C.]]
[[Category: Thiemann, M.]]
[[Category: Thiemann, M.]]
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[[Category: aminopeptidase]]
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[[Category: Aminopeptidase]]
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[[Category: complex]]
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[[Category: Complex]]
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[[Category: diabetes mellitus]]
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[[Category: Diabetes mellitus]]
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[[Category: dpp-iv]]
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[[Category: Dpp-iv]]
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[[Category: drug design]]
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[[Category: Drug design]]
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[[Category: glycoprotein]]
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[[Category: Glycoprotein]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: protease]]
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[[Category: Protease]]
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[[Category: serine protease]]
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[[Category: Serine protease]]
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[[Category: signal-anchor]]
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[[Category: Signal-anchor]]
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[[Category: transmembrane]]
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[[Category: Transmembrane]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 20:48:34 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:11:51 2008''
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Revision as of 17:48, 3 May 2008

Image:2bub.gif

Template:STRUCTURE 2bub

CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (CD26) IN COMPLEX WITH A REVERSED AMIDE INHIBITOR


Overview

The co-crystal structure of beta-phenethylamine fragment inhibitor 5 bound to DPP-IV revealed that the phenyl ring occupied the proline pocket of the enzyme. This finding provided the basis for a general hypothesis of a reverse binding mode for beta-phenethylamine-based DPP-IV inhibitors. Novel inhibitor design concepts that obviate substrate-like structure-activity relationships (SAR) were thereby enabled, and novel, potent inhibitors were discovered.

About this Structure

2BUB is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors., Nordhoff S, Cerezo-Galvez S, Feurer A, Hill O, Matassa VG, Metz G, Rummey C, Thiemann M, Edwards PJ, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1744-8. Epub 2006 Jan 11. PMID:16376544 Page seeded by OCA on Sat May 3 20:48:34 2008

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OCA

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