5FIH
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![BU of 5fih by Molmil](/molmil-images/mine/5fih) | SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE | Descriptor: | 1,3-BETA-GLUCANOSYLTRANSFERASE, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C. | Deposit date: | 2015-09-25 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations. J. Am. Chem. Soc., 138, 2016
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2J62
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![BU of 2j62 by Molmil](/molmil-images/mine/2j62) | Structure of a bacterial O-glcnacase in complex with glcnacstatin | Descriptor: | 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 | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F. | Deposit date: | 2006-09-22 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels. J. Am. Chem. Soc., 128, 2006
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4AY5
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![BU of 4ay5 by Molmil](/molmil-images/mine/4ay5) | Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ... | Authors: | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | Deposit date: | 2012-06-18 | Release date: | 2012-10-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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4AY6
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![BU of 4ay6 by Molmil](/molmil-images/mine/4ay6) | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ... | Authors: | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | Deposit date: | 2012-06-18 | Release date: | 2012-10-24 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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5BNW
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![BU of 5bnw by Molmil](/molmil-images/mine/5bnw) | The active site of O-GlcNAc transferase imposes constraints on substrate sequence | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191 | Authors: | Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F. | Deposit date: | 2015-05-26 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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2YDQ
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![BU of 2ydq by Molmil](/molmil-images/mine/2ydq) | CpOGA D298N in complex with hOGA-derived O-GlcNAc peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BIFUNCTIONAL PROTEIN NCOAT, CADMIUM ION, ... | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | Deposit date: | 2011-03-24 | Release date: | 2012-03-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
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2YDR
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![BU of 2ydr by Molmil](/molmil-images/mine/2ydr) | CpOGA D298N in complex with p53-derived O-GlcNAc peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ... | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | Deposit date: | 2011-03-24 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
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2YDS
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![BU of 2yds by Molmil](/molmil-images/mine/2yds) | CpOGA D298N in complex with TAB1-derived O-GlcNAc peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, O-GLCNACASE NAGJ, ... | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | Deposit date: | 2011-03-24 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
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2VUR
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![BU of 2vur by Molmil](/molmil-images/mine/2vur) | Chemical dissection of the link between Streptozotocin, O-GlcNAc and pancreatic cell death | Descriptor: | 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose, O-GLCNACASE NAGJ, SULFATE ION | Authors: | Pathak, S, Dorfmueller, H.C, Borodkin, V.S, van Aalten, D.M.F. | Deposit date: | 2008-05-29 | Release date: | 2009-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chemical Dissection of the Link between Streptozotocin, O-Glcnac, and Pancreatic Cell Death. Chem.Biol., 15, 2008
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2WB5
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![BU of 2wb5 by Molmil](/molmil-images/mine/2wb5) | GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation | Descriptor: | (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, ... | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F. | Deposit date: | 2009-02-20 | Release date: | 2009-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation Biochem.J., 420, 2009
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2XGM
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![BU of 2xgm by Molmil](/molmil-images/mine/2xgm) | Substrate and product analogues as human O-GlcNAc transferase inhibitors. | Descriptor: | ALLOXAN, XCOGT | Authors: | Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M. | Deposit date: | 2010-06-07 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors. Amino Acids, 40, 2011
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2XGS
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![BU of 2xgs by Molmil](/molmil-images/mine/2xgs) | XcOGT in complex with C-UDP | Descriptor: | 5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, XCOGT | Authors: | Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M. | Deposit date: | 2010-06-07 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors. Amino Acids, 40, 2011
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2XPK
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![BU of 2xpk by Molmil](/molmil-images/mine/2xpk) | Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases | Descriptor: | 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 | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F. | Deposit date: | 2010-08-26 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases. Chem.Biol, 17, 2010
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2XGO
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![BU of 2xgo by Molmil](/molmil-images/mine/2xgo) | XcOGT in complex with UDP-S-GlcNAc | Descriptor: | URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE, XCOGT | Authors: | Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M. | Deposit date: | 2010-06-07 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors. Amino Acids, 40, 2011
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