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
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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
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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
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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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4ZXL
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4XDO
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5VVO
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5VVU
 | | Structural Investigations of the Substrate Specificity of Human O-GlcNAcase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, TAB1 peptide | | 著者 | Li, B, Jiang, J, Li, H, Hu, C.-W. | | 登録日 | 2017-05-20 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
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5VVT
 | | Structural Investigations of the Substrate Specificity of Human O-GlcNAcase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ELK1 peptide, Protein O-GlcNAcase | | 著者 | Li, B, Jiang, J, Li, H, Hu, C.-W. | | 登録日 | 2017-05-20 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
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5VVX
 | | Structural Investigations of the Substrate Specificity of Human O-GlcNAcase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lamin B1, Protein O-GlcNAcase | | 著者 | Li, B, Jiang, J, Li, H, Hu, C.-W. | | 登録日 | 2017-05-21 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
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5VVV
 | | Structural Investigations of the Substrate Specificity of Human O-GlcNAcase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, a-crystallin B | | 著者 | Li, B, Jiang, J, Li, H, Hu, C.-W. | | 登録日 | 2017-05-20 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
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5M7S
 | | Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG | | 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, Protein O-GlcNAcase | | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | 登録日 | 2016-10-28 | | 公開日 | 2017-03-29 | | 最終更新日 | 2017-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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5M7R
 | | Structure of human O-GlcNAc hydrolase | | 分子名称: | Protein O-GlcNAcase | | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | 登録日 | 2016-10-28 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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5M7T
 | | Structure of human O-GlcNAc hydrolase with PugNAc type 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, Protein O-GlcNAcase | | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | 登録日 | 2016-10-28 | | 公開日 | 2017-03-29 | | 最終更新日 | 2017-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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5M7U
 | | Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor | | 分子名称: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide, Protein O-GlcNAcase | | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | 登録日 | 2016-10-28 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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6PM9
 | | Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719 | | 分子名称: | (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | | 著者 | Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J. | | 登録日 | 2019-07-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.
J.Med.Chem., 62, 2019
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8P0L
 | | Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ... | | 著者 | Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C. | | 登録日 | 2023-05-10 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics.
Acs Catalysis, 13, 2023
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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
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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
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2JH2
 | | X-ray crystal structure of a cohesin-like module from Clostridium perfringens | | 分子名称: | O-GLCNACASE NAGJ | | 著者 | Chitayat, S, Gregg, K, Adams, J.J, Ficko-Blean, E, Bayer, E.A, Boraston, A.B, Smith, S.P. | | 登録日 | 2007-02-19 | | 公開日 | 2007-11-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Three-Dimensional Structure of a Putative Non- Cellulosomal Cohesin Module from a Clostridium Perfringens Family 84 Glycoside Hydrolase.
J.Mol.Biol., 375, 2008
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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
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2O4E
 | | The solution structure of a protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens | | 分子名称: | O-GlcNAcase nagJ | | 著者 | Chitayat, S, Adams, J.J, Gregg, K, Boraston, A.B, Smith, S.P. | | 登録日 | 2006-12-04 | | 公開日 | 2007-11-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Three-dimensional structure of a putative non-cellulosomal cohesin module from a Clostridium perfringens family 84 glycoside hydrolase.
J.Mol.Biol., 375, 2008
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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
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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
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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
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