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

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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
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
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 2024-10-16 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
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
7YEH	Cryo-EM structure of human OGT-OGA complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... 著者 Lu, P, Liu, Y, Yu, H, Gao, H. 登録日 2022-07-05 公開日 2023-07-12 最終更新日 2024-01-24 実験手法 ELECTRON MICROSCOPY (3.92 Å) 主引用文献 Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex. Nat Commun, 14, 2023
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
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
4ZXL	CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ... 著者 Selvan, N, van Aalten, D.M.F. 登録日 2015-05-20 公開日 2015-09-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development. Biochem.J., 470, 2015
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
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
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
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
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
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
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
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
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
5ABH	Structure of GH84 with ligand 分子名称: 1,2-ETHANEDIOL, 2-[(2R,3S,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 (1.95 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
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
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 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
5ABE	Structure of GH84 with ligand 分子名称: 2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, O-GLCNACASE BT_4395 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

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