1rwq: Difference between revisions
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|PDB= 1rwq |SIZE=350|CAPTION= <scene name='initialview01'>1rwq</scene>, resolution 2.20Å | |PDB= 1rwq |SIZE=350|CAPTION= <scene name='initialview01'>1rwq</scene>, resolution 2.20Å | ||
|SITE= | |SITE= | ||
|LIGAND= | |LIGAND= <scene name='pdbligand=5AP:5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE'>5AP</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene> | ||
|ACTIVITY= [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] | |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> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY=[[1nu6|1NU6]], [[1nu8|1NU8]] | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1rwq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rwq OCA], [http://www.ebi.ac.uk/pdbsum/1rwq PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1rwq RCSB]</span> | |||
}} | }} | ||
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[[Category: Stihle, M.]] | [[Category: Stihle, M.]] | ||
[[Category: Thoma, R.]] | [[Category: Thoma, R.]] | ||
[[Category: adenosine binding]] | [[Category: adenosine binding]] | ||
[[Category: complex structure]] | [[Category: complex structure]] | ||
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[[Category: exopeptidase]] | [[Category: exopeptidase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:34:01 2008'' | ||
Revision as of 23:34, 30 March 2008
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| , resolution 2.20Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Activity: | Dipeptidyl-peptidase IV, with EC number 3.4.14.5 | ||||||
| Related: | 1NU6, 1NU8
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine
OverviewOverview
The influence of aromatic substitution on a newly discovered class of inhibitors of dipeptidyl peptidase IV was investigated. A 10(5)-fold increase in potency was achieved by the optimization of aromatic substituents in a parallel chemistry program. The observed SAR could be explained by an X-ray structure of the protein-ligand complex.
About this StructureAbout this Structure
1RWQ is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
ReferenceReference
Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituents., Peters JU, Weber S, Kritter S, Weiss P, Wallier A, Boehringer M, Hennig M, Kuhn B, Loeffler BM, Bioorg Med Chem Lett. 2004 Mar 22;14(6):1491-3. PMID:15006388
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