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8ETE
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BU of 8ete by Molmil
Bile Salt Hydrolase from B. longum with covalent inhibitor bound
Descriptor: (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name), Conjugated bile acid hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2022-10-17
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8ESL
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BU of 8esl by Molmil
Bile Salt Hydrolase from a Bacteroidales species with covalent inhibitor bound
Descriptor: (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2022-10-14
Release date:2023-11-01
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8ETK
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BU of 8etk by Molmil
Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
Descriptor: (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION
Authors:Walker, M.E, Grundy, M.K, Redinbo, M.R.
Deposit date:2022-10-17
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8ESG
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BU of 8esg by Molmil
Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound
Descriptor: (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2022-10-14
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8ESI
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BU of 8esi by Molmil
Bile Salt Hydrolase from B. longum with covalent inhibitor bound
Descriptor: (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Conjugated bile acid hydrolase
Authors:Walker, M.E, Lim, L, Redinbo, M.R.
Deposit date:2022-10-14
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8ETF
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BU of 8etf by Molmil
Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound
Descriptor: (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name), Choloylglycine hydrolase, NICKEL (II) ION
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2022-10-17
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8EWT
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BU of 8ewt by Molmil
Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
Descriptor: (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2022-10-24
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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
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
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
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
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
7SVJ
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BU of 7svj by Molmil
Bile Salt Hydrolase from Lactobacillus ingluviei
Descriptor: CALCIUM ION, Choloylglycine hydrolase, DI(HYDROXYETHYL)ETHER, ...
Authors:Walker, M.E, Patel, S, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
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
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
8FAO
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BU of 8fao by Molmil
Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound
Descriptor: (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name), Choloylglycine hydrolase, NICKEL (II) ION
Authors:Grundy, M.K, Walker, M.E, Redinbo, M.R.
Deposit date:2022-11-28
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
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

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PDB entries from 2024-05-22

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