8QF2
 
 | | Beta-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining Beta-L-arabinofuranosidases | | Descriptor: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | Authors: | Borlandelli, V, Offen, W.A, Moroz, O, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | | Deposit date: | 2023-09-02 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Acs Chem.Biol., 18, 2023
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8QF8
 | | GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine | | Descriptor: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol, Glycosyl hydrolase, ... | | Authors: | Borlandelli, V, Offen, W, Moroz, O.V, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | | Deposit date: | 2023-09-04 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Acs Chem.Biol., 18, 2023
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7DIF
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution | | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM ION, ... | | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | Deposit date: | 2020-11-19 | | Release date: | 2021-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7BZL
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol | | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | Deposit date: | 2020-04-28 | | Release date: | 2021-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8B0B
 | | Crystal structure of human heparanase in complex with covalent inhibitor VB151 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0C
 | | Crystal structure of human heparanase in complex with covalent inhibitor VB158 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase 50 kDa subunit, ... | | Authors: | Armstrong, Z, Davies, G. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0E
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB158 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0D
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, ALANINE, SULFATE ION, ... | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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6YQH
 | | GH146 beta-L-arabinofuranosidase bound to covalent inhibitor | | Descriptor: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl-CoA carboxylase, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-04-17 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8R1M
 | | Structure of TxGH116 with covalently bound N-azido-octyl aziridine | | Descriptor: | (1R,2R,3R,4S)-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Offen, W.A, Davies, G.J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective labelling of GBA2 in cells with fluorescent beta-d-arabinofuranosyl cyclitol aziridines.
Chem Sci, 15, 2024
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7KGY
 | | 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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7KGZ
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8GER
 | | 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 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GEO
 | | 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 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GET
 | | 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 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GEN
 | | 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 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GES
 | | 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 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GEQ
 | | 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 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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