6ZBW
| Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor | 分子名称: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, Alpha-1,6-mannanase, ... | 著者 | Davies, G.J, Offen, W.A. | 登録日 | 2020-06-09 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases. Chemistry, 27, 2021
|
|
8R56
| |
4WSK
| Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone | 分子名称: | Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ... | 著者 | Davies, G.J. | 登録日 | 2014-10-28 | 公開日 | 2014-11-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases. Chem Sci, 6, 2015
|
|
4WSJ
| Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one | 分子名称: | Alpha-L-fucosidase, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide, SULFATE ION | 著者 | Davies, G.J, Wright, D.W. | 登録日 | 2014-10-28 | 公開日 | 2014-11-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases. Chem Sci, 6, 2015
|
|
6D10
| |
6CZT
| |
8QOY
| Capsular polysaccharide synthesis multienzyme of Actinobacillus Pleuropneumoniae serotype 3 | 分子名称: | SULFATE ION, TagF-like capsule polymerase Cps3D, ZINC ION | 著者 | Di Domenico, V, Litschko, C, Schulze, J, Bethe, A, Cifuente, J.O, Marina, A, Budde, I, Mast, T.A, Sulewska, M, Berger, M, Buettner, F, Gerardy-Schahn, R, Fiebig, T, Guerin, M.E. | 登録日 | 2023-09-29 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Transition transferases prime bacterial capsule polymerization. Nat.Chem.Biol., 2024
|
|
7KWW
| X-ray Crystal Structure of PlyCB Mutant K59H | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | 著者 | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | 登録日 | 2020-12-02 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
|
|
7KWY
| X-ray Crystal Structure of PlyCB Mutant R66K | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | 著者 | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | 登録日 | 2020-12-02 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
|
|
7KWT
| X-ray Crystal Structure of PlyCB Mutant Y28H | 分子名称: | PlyCB | 著者 | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | 登録日 | 2020-12-02 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol., 116, 2021
|
|
8BQA
| CjCel5B endo-glucanase bound to CB665 covalent inhibitor | 分子名称: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Endoglucanase, alpha-D-xylopyranose, ... | 著者 | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | 登録日 | 2022-11-20 | 公開日 | 2023-11-29 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.67 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
|
|
8BN7
| CjCel5C endo-glucanase | 分子名称: | Cellulase, putative, cel5C | 著者 | McGregor, N.G.S, Davies, G.J. | 登録日 | 2022-11-13 | 公開日 | 2023-11-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.182 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
|
|
8BQC
| CjCel5B endo-glucanase | 分子名称: | Endoglucanase | 著者 | McGregor, N.G.S, Davies, G.J. | 登録日 | 2022-11-20 | 公開日 | 2023-11-29 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.57 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
|
|
8BQB
| CjCel5C endo-glucanase bound to CB396 covalent inhibitor | 分子名称: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Cellulase, putative, ... | 著者 | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | 登録日 | 2022-11-20 | 公開日 | 2023-11-29 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.701 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
|
|
5JAW
| Structure of a beta galactosidase with inhibitor | 分子名称: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Beta-galactosidase, ... | 著者 | Offen, W, Davies, G. | 登録日 | 2016-04-12 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines. Chem. Commun. (Camb.), 53, 2017
|
|
5LA7
| Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355 | 分子名称: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, L, Jin, Y, Davies, G.J. | 登録日 | 2016-06-13 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
5L77
| A glycoside hydrolase mutant with an unreacted activity based probe bound | 分子名称: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | 著者 | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | 登録日 | 2016-06-02 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
5L9Y
| Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355 | 分子名称: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, L, Jin, Y, Davies, G.J. | 登録日 | 2016-06-13 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
7MX4
| CD1c with antigen analogue 1 | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | 登録日 | 2021-05-18 | 公開日 | 2021-11-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells. J.Biol.Chem., 297, 2021
|
|
7MXF
| CD1c with antigen analogue 2 | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | 登録日 | 2021-05-19 | 公開日 | 2021-11-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells. J.Biol.Chem., 297, 2021
|
|
7MXH
| CD1c with antigen analogue 3 | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | 登録日 | 2021-05-19 | 公開日 | 2021-11-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells. J.Biol.Chem., 297, 2021
|
|
7ODJ
| Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine | 分子名称: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Man5A, ... | 著者 | McGregor, N.G.S, Davies, G.J. | 登録日 | 2021-04-29 | 公開日 | 2022-02-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
|
|
8B0D
| Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151 | 分子名称: | (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, ... | 著者 | Armstrong, Z, Davies, G.J. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. Chemmedchem, 18, 2023
|
|
8B0B
| Crystal structure of human heparanase in complex with covalent inhibitor VB151 | 分子名称: | (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, ... | 著者 | Armstrong, Z, Davies, G.J. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. Chemmedchem, 18, 2023
|
|
8B0C
| Crystal structure of human heparanase in complex with covalent inhibitor VB158 | 分子名称: | (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, ... | 著者 | Armstrong, Z, Davies, G. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. Chemmedchem, 18, 2023
|
|