PDB: 113 件ウェブページステータス検索Chemie searchBIRD

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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
5FL0	Structure of a hydrolase with an inhibitor 分子名称: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. 登録日 2015-10-20 公開日 2016-08-31 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase. Chem Sci, 7, 2016
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
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
5OXD	Complex of a C. perfringens O-GlcNAcase with a fragment hit 分子名称: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ 著者 Rafie, K, van Aalten, D.M.F. 登録日 2017-09-06 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry. ACS Chem. Biol., 13, 2018
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
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
5FKY	Structure of a hydrolase bound with an inhibitor 分子名称: (3aR,5R,6S,7R,7aR)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, GLYCEROL, O-GLCNACASE BT_4395 著者 Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. 登録日 2015-10-20 公開日 2016-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase. Chem Sci, 7, 2016
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
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
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
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
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 2024-05-08 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
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 2024-05-08 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
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
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
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
5FL1	Structure of a hydrolase with an inhibitor 分子名称: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. 登録日 2015-10-20 公開日 2016-08-31 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase. Chem Sci, 7, 2016
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 2024-05-08 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
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 2024-05-08 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
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

 

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