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6MVG
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BU of 6mvg by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Ruminococcus gnavus
分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, beta-glucuronidase
著者Pellock, S.J, Redinbo, M.R.
登録日2018-10-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6NCZ
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BU of 6ncz by Molmil
Crystal structure of hybrid beta-glucuronidase/beta-galacturonidase from Fusicatenibacter saccharivorans bound to phenyl-thio-beta-D-glucuronide
分子名称: Beta-glucuronidase, GLYCEROL, phenyl 1-thio-beta-D-glucopyranosiduronic acid
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-12-12
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019
6NCY
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BU of 6ncy by Molmil
Crystal structure of hybrid beta-glucuronidase/beta-galacturonidase from Fusicatenibacter saccharivorans
分子名称: Beta-glucuronidase, GLYCEROL, NICKEL (II) ION, ...
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-12-12
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019
6NCW
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BU of 6ncw by Molmil
Crystal structure of a GH2 beta-galacturonidase from Eisenbergiella tayi bound to glycerol
分子名称: Beta-galacturonidase, CHLORIDE ION, GLYCEROL
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-12-12
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019
6NCX
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BU of 6ncx by Molmil
Crystal structure of GH2 beta-galacturonidase from Eisenbergiella tayi bound to galacturonate
分子名称: Beta-galacturonidase, CHLORIDE ION, alpha-D-galactopyranuronic acid
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-12-12
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019
6NZG
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BU of 6nzg by Molmil
Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine
分子名称: (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid, Beta-galactosidase, CALCIUM ION, ...
著者Pellock, S.J, Jariwala, P.B, Redinbo, M.R.
登録日2019-02-13
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
1K4Y
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BU of 1k4y by Molmil
Crystal Structure of Rabbit Liver Carboxylesterase in Complex with 4-piperidino-piperidine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-PIPERIDINO-PIPERIDINE, LIVER CARBOXYLESTERASE, ...
著者Bencharit, S, Morton, C.L, Howard-Williams, E.L, Danks, M.K, Potter, P.M, Redinbo, M.R.
登録日2001-10-09
公開日2002-05-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into CPT-11 activation by mammalian carboxylesterases.
Nat.Struct.Biol., 9, 2002
1LPQ
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BU of 1lpq by Molmil
Human DNA Topoisomerase I (70 Kda) In Non-Covalent Complex With A 22 Base Pair DNA Duplex Containing an 8-oxoG Lesion
分子名称: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*(8OG)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*CP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', DNA topoisomerase I
著者Lesher, D.T, Pommier, Y, Stewart, L, Redinbo, M.R.
登録日2002-05-08
公開日2002-08-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献8-Oxoguanine rearranges the active site of human topoisomerase I
Proc.Natl.Acad.Sci.USA, 99, 2002
1M13
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BU of 1m13 by Molmil
Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort
分子名称: 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE, Orphan Nuclear Receptor PXR
著者Watkins, R.E, Maglich, J.M, Moore, L.B, Wisely, G.B, Noble, S.M, Davis-Searles, P.R, Lambert, M.H, Kliewer, S.A, Redinbo, M.R.
登録日2002-06-17
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin
Biochemistry, 42, 2003
1MX9
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BU of 1mx9 by Molmil
Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue
分子名称: (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, liver Carboxylesterase I
著者Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R.
登録日2002-10-01
公開日2003-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme
Nat.Struct.Biol., 10, 2003
1MX5
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BU of 1mx5 by Molmil
Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, HOMOTROPINE, ...
著者Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R.
登録日2002-10-01
公開日2003-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme
Nat.Struct.Biol., 10, 2003
1MX1
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BU of 1mx1 by Molmil
Crystal Structure of Human Liver Carboxylesterase in complex with tacrine
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, ...
著者Bencharit, S, Morton, C.L, Hyatt, J.L, Kuhn, P, Danks, M.K, Potter, P.M, Redinbo, M.R.
登録日2002-10-01
公開日2003-04-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Human Carboxylesterase 1 Complexed with the Alzheimer's Drug Tacrine: From Binding Promiscuity to Selective Inhibition
CHEM.BIOL., 10, 2003
1NRL
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BU of 1nrl by Molmil
Crystal Structure of the human PXR-LBD in complex with an SRC-1 coactivator peptide and SR12813
分子名称: Nuclear Receptor Coactivator 1 isoform 3, Orphan nuclear receptor PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
著者Watkins, R.E, Davis-Searles, P.R, Lambert, M.H, Redinbo, M.R.
登録日2003-01-25
公開日2003-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Coactivator binding promotes the specific interaction between ligand and the pregnane X receptor
J.Mol.Biol., 331, 2003
3K4D
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BU of 3k4d by Molmil
Crystal structure of E. coli beta-glucuronidase with the glucaro-d-lactam inhibitor bound
分子名称: (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid, Beta-glucuronidase
著者Wallace, B.D, Redinbo, M.R.
登録日2009-10-05
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
3K9B
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BU of 3k9b by Molmil
Crystal structure of human liver carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Cyclosarin (GF)
分子名称: Liver carboxylesterase 1, cyclohexyl (S)-methylphosphonofluoridoate
著者Hemmert, A.C, Redinbo, M.R.
登録日2009-10-15
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Human carboxylesterase 1 stereoselectively binds the nerve agent cyclosarin and spontaneously hydrolyzes the nerve agent sarin.
Mol.Pharmacol., 77, 2010
3K4A
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BU of 3k4a by Molmil
Crystal structure of selenomethionine substituted E. coli beta-glucuronidase
分子名称: Beta-glucuronidase
著者Wallace, B.D, Orans, J, Redinbo, M.R.
登録日2009-10-05
公開日2010-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
3K46
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BU of 3k46 by Molmil
Crystal structure of full-length E. coli beta-glucuronidase
分子名称: Beta-glucuronidase
著者Wallace, B.D, Lane, K.T, Redinbo, M.R.
登録日2009-10-05
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
4JKK
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BU of 4jkk by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group I222
分子名称: Beta-glucuronidase, MAGNESIUM ION
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4J5X
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BU of 4j5x by Molmil
Crystal Structure of the SR12813-bound PXR/RXRalpha LBD Heterotetramer Complex
分子名称: Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, Retinoic acid receptor RXR-alpha, ...
著者Wallace, B.D, Betts, L, Redinbo, M.R.
登録日2013-02-10
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
4JKM
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Crystal Structure of Clostridium perfringens beta-glucuronidase
分子名称: Beta-glucuronidase, Maltose-binding periplasmic protein
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4J5W
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BU of 4j5w by Molmil
Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex
分子名称: MAGNESIUM ION, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, ...
著者Wallace, B.D, Betts, L, Redinbo, M.R.
登録日2013-02-10
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
4JHZ
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BU of 4jhz by Molmil
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide
分子名称: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide, Beta-glucuronidase
著者Roberts, A.B, Wallace, B.D, Redinbo, M.R.
登録日2013-03-05
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.831 Å)
主引用文献Molecular Insights into Microbial beta-Glucuronidase Inhibition to Abrogate CPT-11 Toxicity.
Mol.Pharmacol., 84, 2013
4JKL
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BU of 4jkl by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group P21212
分子名称: Beta-glucuronidase, MAGNESIUM ION
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
3LPF
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BU of 3lpf by Molmil
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 1-((6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
分子名称: 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea, Beta-glucuronidase
著者Wallace, B.D, Redinbo, M.R.
登録日2010-02-05
公開日2010-11-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
3LPG
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Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)urea
分子名称: 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea, Beta-glucuronidase
著者Wallace, B.D, Redinbo, M.R.
登録日2010-02-05
公開日2010-11-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.425 Å)
主引用文献Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010

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