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TitleStructural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.
Journal, issue, pagesJ. Mol. Biol., Vol. 352, Page 165-177, Year 2005
Publish dateDec 17, 2004 (structure data deposition date)
AuthorsFleming, C.D. / Bencharit, S. / Edwards, C.C. / Hyatt, J.L. / Tsurkan, L. / Bai, F. / Fraga, C. / Morton, C.L. / Howard-Williams, E.L. / Potter, P.M. / Redinbo, M.R.
External linksJ. Mol. Biol. / PubMed:16081098
MethodsX-ray diffraction
Resolution3 - 3.2 Å
Structure data

PDB-1ya4:
Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

PDB-1ya8:
Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-1yah:
Crystal Structure of Human Liver Carboxylesterase complexed to Etyl Acetate; A Fatty Acid Ethyl Ester Analogue
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-1yaj:
Crystal Structure of Human Liver Carboxylesterase in complex with benzil
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-SIA:
N-acetyl-alpha-neuraminic acid

ChemComp-SO4:
SULFATE ION

ChemComp-CTX:
(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE

ChemComp-HOH:
WATER

ChemComp-MVB:
(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL

ChemComp-SMB:
2-METHYLBUTANOIC ACID

ChemComp-EEE:
ETHYL ACETATE

ChemComp-BEZ:
BENZOIC ACID

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Hydrolase Domain / Tamoxifen Complex / Carboxylesterase / Mevastatin / Ethyl Acetate / Fatty Acid Acyl Ester / Benzil / Inhibition

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