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6D7J
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BU of 6d7j by Molmil
The Crystal Structure of Parabacteroides merdae Beta-Glucuronidase (GUS) with Glycerol in Active-Site
分子名称: Beta-Glucuronidase, GLYCEROL, POTASSIUM ION, ...
著者Little, M.S, Redinbo, M.R.
登録日2018-04-24
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Protein Sci., 27, 2018
1RRJ
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BU of 1rrj by Molmil
Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I
分子名称: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
著者Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R.
登録日2003-12-08
公開日2004-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
1SKX
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Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
分子名称: Orphan nuclear receptor PXR, RIFAMPICIN
著者Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R.
登録日2004-03-05
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
1RR8
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Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I
分子名称: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
著者Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R.
登録日2003-12-08
公開日2004-07-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
6MVH
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Crystal structure of FMN-binding beta-glucuronidase from Roseburia hominis
分子名称: Beta-galactosidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE
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 (2.4 Å)
主引用文献Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6MVF
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Crystal structure of FMN-binding beta-glucuronidase from Facaelibacterium prausnitzii L2-6
分子名称: Beta-galactosidase/beta-glucuronidase, FLAVIN MONONUCLEOTIDE
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2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6MVG
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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
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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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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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
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
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2024-10-16
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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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
1M13
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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
1LPQ
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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
1MX1
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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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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
3LPF
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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2024-10-16
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
3K4D
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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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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
3K46
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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
3K4A
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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
1A36
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TOPOISOMERASE I/DNA COMPLEX
分子名称: DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*A P*TP*TP*TP*TP*T)- 3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*C P*TP*TP*TP*TP*T)- 3'), TOPOISOMERASE I
著者Stewart, L, Redinbo, M.R, Qiu, X, Champoux, J.J, Hol, W.G.J.
登録日1998-01-29
公開日1998-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A model for the mechanism of human topoisomerase I.
Science, 279, 1998

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