1if8: Difference between revisions

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[[Image:1if8.~~jpg~~|left|200px]]

[[Image:1if8.png|left|200px]]

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~~'''~~Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide~~'''~~

===Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide===

~~==Overview==~~

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~~Combinatorial small molecule growth algorithm was used~~ to ~~design inhibitors for human carbonic anhydrase II~~. ~~Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S~~), ~~but in two distinct conformations. The experiments verified that computational predictions concerning the binding affinities and~~ the ~~binding modes were correct for both isomers~~. ~~The designed R isomer is the best~~-~~known inhibitor (K(d) approximately 30 pM) of human carbonic anhydrase II.~~

The line below this paragraph, {{ABSTRACT_PUBMED_11818565}}, adds the Publication Abstract to the page

(as it appears on PubMed at http://www.pubmed.gov), where 11818565 is the PubMed ID number.

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==About this Structure==

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[[Category: Whitesides, G M.]]

[[Category: Carbonic anhydrase ii]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Fri May~~ ~~2 19~~:56:22 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 10:52:50 2008''

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-[[Image:1if8.jpg|left|200px]]
+{{Seed}}
+[[Image:1if8.png|left|200px]]
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 {{STRUCTURE_1if8|  PDB=1if8  |  SCENE=  }}
-'''Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide'''
+===Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide===
-==Overview==
+<!--
-Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations. The experiments verified that computational predictions concerning the binding affinities and the binding modes were correct for both isomers. The designed R isomer is the best-known inhibitor (K(d) approximately 30 pM) of human carbonic anhydrase II.
+The line below this paragraph, {{ABSTRACT_PUBMED_11818565}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 11818565 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_11818565}}
 ==About this Structure==
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 [[Category: Whitesides, G M.]]
 [[Category: Carbonic anhydrase ii]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 19:56:22 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul  1 10:52:50 2008''