PDB: 77 件ウェブページステータス検索Chemie searchBIRD

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5ABF	Structure of GH84 with ligand 分子名称: 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-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 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 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
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 2024-05-08 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
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
2YDQ	CpOGA D298N in complex with hOGA-derived O-GlcNAc peptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BIFUNCTIONAL PROTEIN NCOAT, CADMIUM ION, ... 著者 Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. 登録日 2011-03-24 公開日 2012-03-14 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
2YDR	CpOGA D298N in complex with p53-derived O-GlcNAc peptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ... 著者 Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. 登録日 2011-03-24 公開日 2012-03-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
2XM2	BtGH84 in complex with LOGNAc 分子名称: GLYCEROL, N-acetylglucosaminono-1,5-lactone (Z)-oxime, O-GLCNACASE BT_4395 著者 He, Y, Davies, G.J. 登録日 2010-07-22 公開日 2011-08-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Inhibition of a Bacterial O-Glcnacase Homologue by Lactone and Lactam Derivatives: Structural, Kinetic and Thermodynamic Analyses. Amino Acids, 40, 2011
2XPK	Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases 分子名称: N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ 著者 Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F. 登録日 2010-08-26 公開日 2011-03-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases. Chem.Biol, 17, 2010
2XM1	BtGH84 in complex with N-acetyl gluconolactam 分子名称: GLYCEROL, N-ACETYL GLUCONOLACTAM, O-GLCNACASE BT_4395 著者 He, Y, Davies, G.J. 登録日 2010-07-22 公開日 2011-08-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibition of a Bacterial O-Glcnacase Homologue by Lactone and Lactam Derivatives: Structural, Kinetic and Thermodynamic Analyses. Amino Acids, 40, 2011
2XJ7	BtGH84 in complex with 6-acetamido-6-deoxy-castanospermine 分子名称: 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, CALCIUM ION, O-GLCNACASE BT_4395 著者 He, Y, Davies, G.J. 登録日 2010-07-02 公開日 2010-09-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibition of O-Glcnacase Using a Potent and Cell-Permeable Inhibitor Does not Induce Insulin Resistance in 3T3-L1 Adipocytes. Chem.Biol., 17, 2010
2YDS	CpOGA D298N in complex with TAB1-derived O-GlcNAc peptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, O-GLCNACASE NAGJ, ... 著者 Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. 登録日 2011-03-24 公開日 2012-03-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
2V5D	Structure of a Family 84 Glycoside Hydrolase and a Family 32 Carbohydrate-Binding Module in Tandem from Clostridium perfringens. 分子名称: CALCIUM ION, O-GLCNACASE NAGJ 著者 Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Smith, S.J, Czjzek, M, Boraston, A.B. 登録日 2008-10-02 公開日 2009-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens J.Biol.Chem., 284, 2009
2VUR	Chemical dissection of the link between Streptozotocin, O-GlcNAc and pancreatic cell death 分子名称: 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose, O-GLCNACASE NAGJ, SULFATE ION 著者 Pathak, S, Dorfmueller, H.C, Borodkin, V.S, van Aalten, D.M.F. 登録日 2008-05-29 公開日 2009-02-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Chemical Dissection of the Link between Streptozotocin, O-Glcnac, and Pancreatic Cell Death. Chem.Biol., 15, 2008
2WCA	BtGH84 in complex with n-butyl pugnac 分子名称: CALCIUM ION, O-GLCNACASE BT_4395, [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE 著者 He, Y, Davies, G.J. 登録日 2009-03-10 公開日 2009-06-16 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Insight Into a Strategy for Attenuating Ampc- Mediated Beta-Lactam Resistance: Structural Basis for Selective Inhibition of the Glycoside Hydrolase Nagz. Protein Sci., 18, 2009
2W67	BtGH84 in complex with FMA34 分子名称: CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... 著者 He, Y, Davies, G.J. 登録日 2008-12-17 公開日 2009-04-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
2X0Y	Screening-based discovery of drug-like O-GlcNAcase inhibitor scaffolds 分子名称: 7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, O-GLCNACASE NAGJ 著者 Dorfmueller, H.C, van Aalten, D.M.F. 登録日 2009-12-18 公開日 2010-01-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Screening-Based Discovery of Drug-Like O-Glcnacase Inhibitor Scaffolds FEBS Lett., 584, 2010
2VVS	BtGH84 structure in complex with PUGNAc 分子名称: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395 著者 Macauley, M.S, Bubb, A, Martinez-Fleites, C, Davies, G.J, Vocadlo, D.J. 登録日 2008-06-11 公開日 2008-09-30 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Elevation of Global O-Glcnac Levels in 3T3-L1 Adipocytes by Selective Inhibition of O-Glcnacase Does not Induce Insulin Resistance J.Biol.Chem., 283, 2008
2V5C	Family 84 glycoside hydrolase from Clostridium perfringens, 2.1 Angstrom structure 分子名称: CACODYLATE ION, CALCIUM ION, O-GLCNACASE NAGJ, ... 著者 Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Smith, S.J, Czjzek, M, Boraston, A.B. 登録日 2008-10-02 公開日 2009-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens J.Biol.Chem., 284, 2009
2WZH	BtGH84 D242N in complex with MeUMB-derived oxazoline 分子名称: 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, CALCIUM ION, GLYCEROL, ... 著者 He, Y, Davies, G.J. 登録日 2009-11-30 公開日 2010-01-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase J.Am.Chem.Soc., 132, 2010
2X0H	BtGH84 Michaelis complex 分子名称: 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside, CALCIUM ION, GLYCEROL, ... 著者 He, Y, Davies, G.J. 登録日 2009-12-08 公開日 2010-01-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase J.Am.Chem.Soc., 132, 2010
2WB5	GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation 分子名称: (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, CHLORIDE ION, O-GLCNACASE NAGJ, ... 著者 Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F. 登録日 2009-02-20 公開日 2009-03-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation Biochem.J., 420, 2009
2VVN	BtGH84 in complex with NH-Butylthiazoline 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, AMMONIUM ION, GLYCEROL, ... 著者 He, Y, Davies, G.J. 登録日 2008-06-10 公開日 2008-07-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A Potent Mechanism-Inspired O-Glcnacase Inhibitor that Blocks Phosphorylation of Tau in Vivo. Nat.Chem.Biol., 4, 2008
2WZI	BtGH84 D243N in complex with 5F-oxazoline 分子名称: (3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, GLYCEROL, ... 著者 He, Y, Davies, G.J. 登録日 2009-11-30 公開日 2010-01-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase J.Am.Chem.Soc., 132, 2010

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