6YQ7
 
 | | Taka-amylase | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQC
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | Descriptor: | (1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQB
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol cyclosulfate inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQ9
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | Descriptor: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQA
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol aziridine inhibitor | | Descriptor: | (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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5JAW
 | | Structure of a beta galactosidase with inhibitor | | Descriptor: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Beta-galactosidase, ... | | Authors: | Offen, W, Davies, G. | | Deposit date: | 2016-04-12 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines.
Chem. Commun. (Camb.), 53, 2017
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5G0Q
 | | beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound | | Descriptor: | (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, BETA-GLUCURONIDASE, GLYCEROL | | Authors: | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2016-03-22 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
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5N6S
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5N6T
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5I24
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021 | | Descriptor: | (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2016-02-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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5I23
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022 | | Descriptor: | 1,2-ETHANEDIOL, 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium, Oligosaccharide 4-alpha-D-glucosyltransferase, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2016-02-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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6I6R
 | | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | | Descriptor: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2018-11-15 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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6I6X
 | | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | | Descriptor: | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2018-11-15 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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5OSS
 | | Beta-glucosidase from Thermotoga maritima in complex with Gluco-1H-imidazole | | Descriptor: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, Beta-glucosidase A, ... | | Authors: | Offen, W.A, Schroeder, S.P, Davies, G.J, Overkleeft, H.S. | | Deposit date: | 2017-08-18 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor.
J. Am. Chem. Soc., 140, 2018
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5OST
 | | Beta-glucosidase from Thermoanaerobacterium xylolyticum GH116 in complex with Gluco-1H-imidazole | | Descriptor: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Davies, G.J, Offen, W.A. | | Deposit date: | 2017-08-18 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor.
J. Am. Chem. Soc., 140, 2018
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5NPD
 | | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021 | | Descriptor: | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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5NPC
 | | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with unreacted alpha Cyclophellitol Cyclosulfate probe ME647 | | Descriptor: | (3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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5O0S
 | | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711 | | Descriptor: | (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | | Deposit date: | 2017-05-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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5NPB
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5NPF
 | | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ... | | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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5NPE
 | | Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with beta Cyclophellitol Aziridine probe KY358 | | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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5EBI
 | | Crystal structure of a DNA-RNA chimera in complex with Ba2+ ions: a case of unusual multi-domain twinning | | Descriptor: | BARIUM ION, DNA/RNA (5'-D(*C)-R(P*G)-D(P*C)-R(P*G)-D(P*C)-R(P*G)-3') | | Authors: | Gilski, M, Drozdzal, P, Kierzek, R, Jaskolski, M. | | Deposit date: | 2015-10-19 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Atomic resolution structure of a chimeric DNA-RNA Z-type duplex in complex with Ba(2+) ions: a case of complicated multi-domain twinning.
Acta Crystallogr D Struct Biol, 72, 2016
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1LCC
 | | STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | | Authors: | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | | Deposit date: | 1993-03-25 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
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1LCD
 | | STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | | Authors: | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | | Deposit date: | 1993-03-25 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
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6HUB
 | | Yeast 20S proteasome with human beta2c (S171G) in complex with 16 | | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-05 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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