1d8f: Difference between revisions

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[[Image:1d8f.~~gif~~|left|200px]]

[[Image:1d8f.png|left|200px]]

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~~'''~~CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR.~~'''~~

===CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR.===

~~==Overview==~~

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~~A new generation of cyclic matrix metalloproteinase (MMP) inhibitors derived from dl-piperazinecarboxylic acid has been described.~~ The ~~design involves: incorporation of hydroxamic acid as the bidentate chelating agent for catalytic Zn(2+)~~, ~~placement of a sulfonamide group at~~ the ~~1N-position of the piperazine ring~~ to ~~fill~~ the ~~S1' pocket of the enzyme, and finally attachment of diverse functional groups~~ at ~~the 4N-position to optimize potency and peroral absorption. A unique combination of all three elements produced inhibitor 20 with high affinity for MMPs 1, 3, 9, and 13 (24, 18, 1~~.~~9, and 1~~.~~3 nM~~, ~~respectively)~~. X-~~ray crystallography data obtained for MMP~~-~~3 cocrystallized with 20 gave detailed information on key binding interactions defining an overall scaffold geometry for piperazine-based MMP inhibitors.~~

The line below this paragraph, {{ABSTRACT_PUBMED_10669564}}, adds the Publication Abstract to the page

(as it appears on PubMed at http://www.pubmed.gov), where 10669564 is the PubMed ID number.

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==About this Structure==

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[[Category: Mixed alpha beta structure]]

[[Category: Zinc protease]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Fri May 2 13~~:34:02 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 22:40:13 2008''

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-[[Image:1d8f.gif|left|200px]]
+{{Seed}}
+[[Image:1d8f.png|left|200px]]
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 {{STRUCTURE_1d8f|  PDB=1d8f  |  SCENE=  }}
-'''CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR.'''
+===CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR.===
-==Overview==
+<!--
-A new generation of cyclic matrix metalloproteinase (MMP) inhibitors derived from dl-piperazinecarboxylic acid has been described. The design involves: incorporation of hydroxamic acid as the bidentate chelating agent for catalytic Zn(2+), placement of a sulfonamide group at the 1N-position of the piperazine ring to fill the S1' pocket of the enzyme, and finally attachment of diverse functional groups at the 4N-position to optimize potency and peroral absorption. A unique combination of all three elements produced inhibitor 20 with high affinity for MMPs 1, 3, 9, and 13 (24, 18, 1.9, and 1.3 nM, respectively). X-ray crystallography data obtained for MMP-3 cocrystallized with 20 gave detailed information on key binding interactions defining an overall scaffold geometry for piperazine-based MMP inhibitors.
+The line below this paragraph, {{ABSTRACT_PUBMED_10669564}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 10669564 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_10669564}}
 ==About this Structure==
@@ Line 36: / Line 40: @@
 [[Category: Mixed alpha beta structure]]
 [[Category: Zinc protease]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 13:34:02 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 22:40:13 2008''