9CS1
 
 | | E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP2 | | Descriptor: | Cyclic peptide CP2, Darobactin A, Outer membrane protein assembly factor BamA, ... | | Authors: | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | | Deposit date: | 2024-07-23 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.147 Å) | | Cite: | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition
Nat Commun, 16, 2025
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9CS0
 | | E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP1 | | Descriptor: | Cyclic peptide CP1, Darobactin A, Outer membrane protein assembly factor BamA, ... | | Authors: | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | | Deposit date: | 2024-07-23 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition
Nat Commun, 16, 2025
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9CS2
 | | E. coli BamA beta-barrel bound to cyclic peptide CP3 | | Descriptor: | Cyclic peptide CP3, Outer membrane protein assembly factor BamA, tetrabutylphosphonium | | Authors: | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | | Deposit date: | 2024-07-23 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.784 Å) | | Cite: | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition
Nat Commun, 16, 2025
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8W1Q
 | | Aerobic crystal structure of iron-bound FlcD from Pseudomonas aeruginosa | | Descriptor: | FE (II) ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-02-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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9B9M
 | | Crystal structure of iron-bound FlcD from Pseudomonas aeruginosa | | Descriptor: | FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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9B9N
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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9B9O
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bond to iron(II) and substrate | | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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8ESI
 | | 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 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8ESG
 | | 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 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8ETF
 | | 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 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8ESL
 | | 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 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8ETK
 | | 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 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8ETE
 | | 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 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8EWT
 | | 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 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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7SVH
 | | 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
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7SVJ
 | | 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
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7SVI
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7SVG
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7SVK
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7SVE
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7SVF
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7KGZ
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8FAO
 | | 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 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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