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| {{STRUCTURE_1y3g| PDB=1y3g | SCENE= }} | | {{STRUCTURE_1y3g| PDB=1y3g | SCENE= }} |
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| '''Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin'''
| | ===Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin=== |
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| ==Overview==
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| Dialkylsilanediols have been found to be an effective functional group for the design of active-site-directed protease inhibitors, including aspartic (HIV protease) and metallo (ACE and thermolysin) proteases. The use of silanediols is predicated on its resemblance to the hydrated carbonyl transition-state structure of amide hydrolysis. This concept has been tested by replacing the presumed tetrahedral carbon of a thermolysin substrate with a silanediol group, resulting in an inhibitor with an inhibition constant K(i) = 40 nM. The structure of the silanediol bound to the active site of thermolysin was found to have a conformation very similar to that of a corresponding phosphonamidate inhibitor (K(i) = 10 nM). In both cases, a single oxygen is within bonding distance to the active-site zinc ion, mimicking the presumed tetrahedral transition state. There are binding differences that appear to be related to the presence or absence of protons on the oxygens attached to the silicon or phosphorus. This is the first crystal structure of an organosilane bound to the active site of a protease.
| | The line below this paragraph, {{ABSTRACT_PUBMED_16342943}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 16342943 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_16342943}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Silanediol protease inhibitor]] | | [[Category: Silanediol protease inhibitor]] |
| [[Category: Thermolysin]] | | [[Category: Thermolysin]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 15:50:20 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 19:49:50 2008'' |
