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 | 2019-10-23 | 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
|
|
7OU8
| Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | 著者 | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | 登録日 | 2021-06-11 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
|
|
5OXD
| |
6RHE
| CpOGA D298N in complex with hOGA-derived S-GlcNAc peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ALA-HIS-CYS-GLY-NH2, CADMIUM ION, ... | 著者 | Van Aalten, D, Bartual, S.G, Gorelik, A. | 登録日 | 2019-04-19 | 公開日 | 2019-12-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation. Nat.Struct.Mol.Biol., 26, 2019
|
|
7K41
| Bacterial O-GlcNAcase (OGA) with compound | 分子名称: | 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ... | 著者 | Lane, W, Tjhen, R, Snell, G, Sang, B. | 登録日 | 2020-09-14 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization. J.Med.Chem., 64, 2021
|
|
7KHV
| CpOGA IN COMPLEX WITH LIGAND 54 | 分子名称: | CALCIUM ION, CHLORIDE ION, N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide, ... | 著者 | Shaffer, P.L. | 登録日 | 2020-10-22 | 公開日 | 2020-12-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders. J.Med.Chem., 63, 2020
|
|
6PV5
| Structure of CpGH84B | 分子名称: | 1,2-ETHANEDIOL, Putative O-GlcNAcase nagJ | 著者 | Pluvinage, B, Boraston, A.B. | 登録日 | 2019-07-19 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology, 30, 2019
|
|
6PWI
| Structure of CpGH84D | 分子名称: | 1,2-ETHANEDIOL, Putative hyaluronoglucosaminidase | 著者 | Pluvinage, B, Boraston, A.B. | 登録日 | 2019-07-23 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology, 30, 2019
|
|
6PV4
| Structure of CpGH84A | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase | 著者 | Pluvinage, B, Boraston, A.B. | 登録日 | 2019-07-19 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology, 30, 2019
|
|
5MI7
| BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc | 分子名称: | CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ... | 著者 | Darby, J.F, Davies, G.J, Hubbard, R.E. | 登録日 | 2016-11-27 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
|
|
5MI5
| BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc | 分子名称: | CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ... | 著者 | Darby, J.F, Davies, G.J, Hubbard, R.E. | 登録日 | 2016-11-27 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
|
|
5MI6
| BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G | 分子名称: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Darby, J.F, Davies, G.J, Hubbard, R.E. | 登録日 | 2016-11-27 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
|
|
5MI4
| BtGH84 mutant with covalent modification by MA3 | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | 著者 | Darby, J.F, Davies, G.J, Hubbard, R.E. | 登録日 | 2016-11-27 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
|
|
2CBI
| Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase | 分子名称: | CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ... | 著者 | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | 登録日 | 2006-01-04 | 公開日 | 2006-02-13 | 最終更新日 | 2018-02-28 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis. EMBO J., 25, 2006
|
|
2CBJ
| Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc | 分子名称: | CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | 著者 | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | 登録日 | 2006-01-05 | 公開日 | 2006-02-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis. EMBO J., 25, 2006
|
|
2CHO
| Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity | 分子名称: | ACETATE ION, CALCIUM ION, GLUCOSAMINIDASE, ... | 著者 | Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J. | 登録日 | 2006-03-16 | 公開日 | 2006-06-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity Nat.Struct.Mol.Biol., 13, 2006
|
|
2J62
| Structure of a bacterial O-glcnacase in complex with glcnacstatin | 分子名称: | CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ | 著者 | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F. | 登録日 | 2006-09-22 | 公開日 | 2007-02-13 | 最終更新日 | 2018-11-28 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels. J. Am. Chem. Soc., 128, 2006
|
|
2CHN
| Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex | 分子名称: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ... | 著者 | Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J. | 登録日 | 2006-03-15 | 公開日 | 2006-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity Nat.Struct.Mol.Biol., 13, 2006
|
|
2J4G
| Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with n-butyl- thiazoline inhibitor | 分子名称: | (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, ACETATE ION, GLYCEROL, ... | 著者 | Dennis, R.J, Davies, G.J. | 登録日 | 2006-08-31 | 公開日 | 2007-01-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Analysis of Pugnac and Nag-Thiazoline as Transition State Analogues for Human O-Glcnacase: Mechanistic and Structural Insights Into Inhibitor Selectivity and Transition State Poise. J.Am.Chem.Soc., 129, 2007
|
|
2J47
| Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor | 分子名称: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLUCOSAMINIDASE, GLYCEROL | 著者 | Dennis, R.J, Davies, G.J. | 登録日 | 2006-08-25 | 公開日 | 2006-10-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor Chem. Commun., 42, 2006
|
|
2JIW
| Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine | 分子名称: | N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE, O-GLCNACASE BT_4395 | 著者 | Dennis, R.J, Davies, G.J. | 登録日 | 2007-07-02 | 公開日 | 2007-08-07 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A 1-Acetamido Derivative of 6-Epi-Valienamine: An Inhibitor of a Diverse Group of Beta-N-Acetylglucosaminidases. Org.Biomol.Chem., 5, 2007
|
|
4AIS
| A complex structure of BtGH84 | 分子名称: | GLYCEROL, GLYCOLIC ACID, O-GLCNACASE BT_4395 | 著者 | He, Y, Davies, G.J. | 登録日 | 2012-02-13 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase. J.Biol.Chem., 287, 2012
|
|
4AIU
| A complex structure of BtGH84 | 分子名称: | (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, O-GLCNACASE BT_4395 | 著者 | He, Y, Davies, G.J. | 登録日 | 2012-02-13 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase. J.Biol.Chem., 287, 2012
|
|
4ZXL
| |
5ABG
| Structure of GH84 with ligand | 分子名称: | 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | 著者 | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | 登録日 | 2015-08-05 | 公開日 | 2015-11-18 | 最終更新日 | 2019-10-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|