4UR9
| Structure of ligand bound glycosylhydrolase | 分子名称: | 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | 著者 | Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E. | 登録日 | 2014-06-27 | 公開日 | 2015-02-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
8S5B
| Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand | 分子名称: | Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | 著者 | Snow, A.J.D, Sharma, M, Davies, G.J. | 登録日 | 2024-02-23 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose. Org.Biomol.Chem., 22, 2024
|
|
8RVK
| Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | 分子名称: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | 登録日 | 2024-02-01 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition. Chemistry, 30, 2024
|
|
8OHX
| Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor | 分子名称: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | 登録日 | 2023-03-21 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
8OHQ
| Crystal structure of human heparanase in complex with competitive inhibitor derrived from siastatin B | 分子名称: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, L, Davies, G.J, Overkleeft, H.S, Armstrong, Z, Yurong, C. | 登録日 | 2023-03-21 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
8OHV
| Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | 分子名称: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | 登録日 | 2023-03-21 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
8OHR
| Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | 分子名称: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | 登録日 | 2023-03-21 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
8OHW
| Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor | 分子名称: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Glycoside hydrolase family 44 domain-containing protein | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | 登録日 | 2023-03-21 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
8OGX
| Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 | 分子名称: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum | 著者 | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | 登録日 | 2023-03-20 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
8OHT
| Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B | 分子名称: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | 登録日 | 2023-03-21 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
8OHU
| Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine | 分子名称: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | 登録日 | 2023-03-21 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
5C86
| Novel fungal alcohol oxidase with catalytic diversity among the AA5 family, apo form | 分子名称: | Kelch domain-containing protein | 著者 | Urresti, S, Yin, D.T, LaFond, M, Derikvand, F, Berrin, G.J, Henrissat, B, Walton, P.H, Brumer, H, Davies, G.J. | 登録日 | 2015-06-25 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structure-function characterization reveals new catalytic diversity in the galactose oxidase and glyoxal oxidase family. Nat Commun, 6, 2015
|
|
5C92
| Novel fungal alcohol oxidase with catalytic diversity among the AA5 family, in complex with copper | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (I) ION, ... | 著者 | Urresti, S, Yin, D.T, LaFond, M, Derikvand, F, Berrin, G.J, Henrissat, B, Walton, P.H, Brumer, H, Davies, G.J. | 登録日 | 2015-06-26 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-function characterization reveals new catalytic diversity in the galactose oxidase and glyoxal oxidase family. Nat Commun, 6, 2015
|
|
8P0L
| Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ... | 著者 | Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C. | 登録日 | 2023-05-10 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics. Acs Catalysis, 13, 2023
|
|
8OZ1
| CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor | 分子名称: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, BORIC ACID, Cellulase, ... | 著者 | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | 登録日 | 2023-05-06 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System. Acs Cent.Sci., 9, 2023
|
|
8PEJ
| CjGH35 with a Galactosidase Activity-Based Probe | 分子名称: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ... | 著者 | Offen, W.A, Davies, G.J. | 登録日 | 2023-06-14 | 公開日 | 2023-10-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe. Org.Biomol.Chem., 21, 2023
|
|
8Q59
| Crystal structure of metal-dependent class II sulfofructose phosphate aldolase from Yersinia aldovae in complex with sulfofructose phosphate (YaSqiA-Zn-SFP) | 分子名称: | (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid, SODIUM ION, Tagatose-1,6-bisphosphate aldolase kbaY, ... | 著者 | Sharma, M, Davies, G.J. | 登録日 | 2023-08-08 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
|
|
8Q5A
| Crystal structure of metal-dependent class II sulfofructosephosphate aldolase from Hafnia paralvei HpSqiA-Zn in complex with dihydroxyacetone phosphate (DHAP) | 分子名称: | 1,3-DIHYDROXYACETONEPHOSPHATE, Ketose-bisphosphate aldolase, ZINC ION | 著者 | Sharma, M, Davies, G.J. | 登録日 | 2023-08-08 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
|
|
8Q58
| |
8Q57
| Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, SULFATE ION, ... | 著者 | Sharma, M, Davies, G.J. | 登録日 | 2023-08-08 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
|
|
8R06
| CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE | 分子名称: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ... | 著者 | Offen, W.A, Davies, G.J, Breen, I.Z. | 登録日 | 2023-10-30 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE JACS, 40, 2017
|
|
8QF2
| Beta-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining Beta-L-arabinofuranosidases | 分子名称: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | 著者 | 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. | 登録日 | 2023-09-02 | 公開日 | 2023-12-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 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
|
|
8QF8
| GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine | 分子名称: | (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, ... | 著者 | 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. | 登録日 | 2023-09-04 | 公開日 | 2023-12-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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
|
|
8QC3
| |
8QC8
| |