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8GES
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BU of 8ges by Molmil
R. hominis 2 beta-glucuronidase bound to UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
8GEN
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BU of 8gen by Molmil
E. eligens beta-glucuronidase bound to UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
8GEQ
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BU of 8geq by Molmil
E. eligens beta-glucuronidase bound to ceritinib-glucuronide
Descriptor: 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine, Beta-glucuronidase
Authors:Simpson, J.B, Kowalewski, M.K, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
8GET
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BU of 8get by Molmil
R. hominis 2 beta-glucuronidase bound to norquetiapine-glucuronide
Descriptor: 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
8GEO
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BU of 8geo by Molmil
E. eligens beta-glucuronidase bound to 3-OH-desloratidine-glucuronide
Descriptor: 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Beta-glucuronidase, GLYCEROL
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
8GER
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BU of 8ger by Molmil
E. eligens beta-glucuronidase bound to norquetiapine-glucuronide
Descriptor: 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase
Authors:Simpson, J.B, Lietzan, A.D, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
7KGY
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BU of 7kgy by Molmil
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
8DHV
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BU of 8dhv by Molmil
Treponema lecithinolyticum beta-glucuronidase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycosyl hydrolase family 2, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-06-28
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DHW
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BU of 8dhw by Molmil
Treponema lecithinolyticum beta-glucuronidase in complex with a UNC4917-glucuronide conjugate
Descriptor: 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-06-28
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DHL
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BU of 8dhl by Molmil
Tannerella forsythia beta-glucuronidase (L2)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 2, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-06-27
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DHE
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BU of 8dhe by Molmil
Tannerella forsythia beta-glucuronidase (mL1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-06-27
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8E72
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BU of 8e72 by Molmil
Treponema lecithinolyticum beta-glucuronidase in complex with a ciprofloxacin-glucuronide conjugate
Descriptor: 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-08-23
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8SBG
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BU of 8sbg by Molmil
Crystal structure of B. theta tryptophanase in holo form
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-03
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SIJ
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BU of 8sij by Molmil
Crystal structure of F. varium tryptophanase
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-16
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SL7
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BU of 8sl7 by Molmil
Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05
Descriptor: (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-21
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
6USS
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BU of 6uss by Molmil
Catalytic S88C mutant of gut microbial sulfatase from Bacteroides fragilis CAG:558
Descriptor: CALCIUM ION, Sulfatase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-10-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases.
Biochemistry, 59, 2020
6UST
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BU of 6ust by Molmil
Gut microbial sulfatase from Hungatella hathewayi
Descriptor: CALCIUM ION, N-acetylgalactosamine 6-sulfate sulfatase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-10-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases.
Biochemistry, 59, 2020
6NZG
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BU of 6nzg by Molmil
Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine
Descriptor: (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid, Beta-galactosidase, CALCIUM ION, ...
Authors:Pellock, S.J, Jariwala, P.B, Redinbo, M.R.
Deposit date:2019-02-13
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
7SVE
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BU of 7sve by Molmil
Bile Salt Hydrolase A from Lactobacillus acidophilus
Descriptor: Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVK
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BU of 7svk by Molmil
Bile Salt Hydrolase from Lactobacillus reuteri
Descriptor: Choloylglycine hydrolase, SULFATE ION
Authors:Walker, M.E, Beaty, V.V, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVF
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BU of 7svf by Molmil
Bile salt hydrolase A from Lactobacillus gasseri with taurine bound
Descriptor: 2-AMINOETHANESULFONIC ACID, Choloylglycine hydrolase, POTASSIUM ION
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVH
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BU of 7svh by Molmil
Bile Salt Hydrolase B from Lactobacillus gasseri
Descriptor: Choloylglycine hydrolase, MAGNESIUM ION
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVG
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BU of 7svg by Molmil
Bile Salt Hydrolase A from Lactobacillus gasseri with chenodeoxycholate and taurine bound
Descriptor: 2-AMINOETHANESULFONIC ACID, CHENODEOXYCHOLIC ACID, Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVI
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BU of 7svi by Molmil
Bile Salt Hydrolase C from Lactobacillus johnsonii
Descriptor: Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023

 

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