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1mx1

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{{STRUCTURE_1mx1| PDB=1mx1 | SCENE= }}
{{STRUCTURE_1mx1| PDB=1mx1 | SCENE= }}
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'''Crystal Structure of Human Liver Carboxylesterase in complex with tacrine'''
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===Crystal Structure of Human Liver Carboxylesterase in complex with tacrine===
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==Overview==
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Human carboxylesterase 1 (hCE1) is a broad-spectrum bioscavenger that plays important roles in narcotic metabolism, clinical prodrug activation, and the processing of fatty acid and cholesterol derivatives. We determined the 2.4 A crystal structure of hCE1 in complex with tacrine, the first drug approved for treating Alzheimer's disease, and compare this structure to the Torpedo californica acetylcholinesterase (AcChE)-tacrine complex. Tacrine binds in multiple orientations within the catalytic gorge of hCE1, while it stacks in the smaller AcChE active site between aromatic side chains. Our results show that hCE1's promiscuous action on distinct substrates is enhanced by its ability to interact with ligands in multiple orientations at once. Further, we use our structure to identify tacrine derivatives that act as low-micromolar inhibitors of hCE1 and may provide new avenues for treating narcotic abuse and cholesterol-related diseases.
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(as it appears on PubMed at http://www.pubmed.gov), where 12725862 is the PubMed ID number.
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{{ABSTRACT_PUBMED_12725862}}
==About this Structure==
==About this Structure==
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[[Category: Esterase inhibitor]]
[[Category: Esterase inhibitor]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 01:49:26 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 02:43:21 2008''

Revision as of 23:43, 27 July 2008

Image:1mx1.png

Template:STRUCTURE 1mx1

Crystal Structure of Human Liver Carboxylesterase in complex with tacrine

Template:ABSTRACT PUBMED 12725862

About this Structure

1MX1 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Crystal structure of human carboxylesterase 1 complexed with the Alzheimer's drug tacrine: from binding promiscuity to selective inhibition., Bencharit S, Morton CL, Hyatt JL, Kuhn P, Danks MK, Potter PM, Redinbo MR, Chem Biol. 2003 Apr;10(4):341-9. PMID:12725862

Page seeded by OCA on Mon Jul 28 02:43:21 2008

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