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6E37
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BU of 6e37 by Molmil
O-GlcNAc Transferase in complex with covalent inhibitor
Descriptor: (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-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 (non-preferred name), O-GlcNAc transferase subunit p110, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN
Authors:Li, H, Jiang, J.
Deposit date:2018-07-13
Release date:2019-11-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.531 Å)
Cite:Targeted covalent inhibition of O-GlcNAc transferase in cells.
Chem.Commun.(Camb.), 55, 2019
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
Descriptor: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-09-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
6BYJ
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BU of 6byj by Molmil
Structure of human 14-3-3 gamma bound to O-GlcNAc peptide
Descriptor: 14-3-3 protein gamma, 2-acetamido-2-deoxy-beta-D-glucopyranose, TSTTATPPVSQASSTTTSTW O-GlcNac peptide
Authors:Schumacher, M.A.
Deposit date:2017-12-20
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of O-GlcNAc recognition by mammalian 14-3-3 proteins.
Proc.Natl.Acad.Sci.USA, 115, 2018
6BYL
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BU of 6byl by Molmil
Structure of 14-3-3 gamma bound to O-GlcNAcylated thr peptide
Descriptor: 14-3-3 protein gamma, 2-acetamido-2-deoxy-beta-D-glucopyranose, TSASTTVPVTTATTTTTSTW O-GlcNac peptide
Authors:Schumacher, M.A.
Deposit date:2017-12-20
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural basis of O-GlcNAc recognition by mammalian 14-3-3 proteins.
Proc.Natl.Acad.Sci.USA, 115, 2018
5M7S
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BU of 5m7s by Molmil
Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG
Descriptor: (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
Authors: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.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7T
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BU of 5m7t by Molmil
Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor
Descriptor: (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
Authors: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.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7R
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BU of 5m7r by Molmil
Structure of human O-GlcNAc hydrolase
Descriptor: Protein O-GlcNAcase
Authors: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.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7U
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BU of 5m7u by Molmil
Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor
Descriptor: 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
Authors: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.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
2X0Y
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BU of 2x0y by Molmil
Screening-based discovery of drug-like O-GlcNAcase inhibitor scaffolds
Descriptor: 7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, O-GLCNACASE NAGJ
Authors:Dorfmueller, H.C, van Aalten, D.M.F.
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening-Based Discovery of Drug-Like O-Glcnacase Inhibitor Scaffolds
FEBS Lett., 584, 2010
2WB5
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BU of 2wb5 by Molmil
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
4ZXL
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BU of 4zxl by Molmil
CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ...
Authors:Selvan, N, van Aalten, D.M.F.
Deposit date:2015-05-20
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development.
Biochem.J., 470, 2015
8GF7
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BU of 8gf7 by Molmil
Cryo-EM structure of serine 87 O-GlcNAc-modified alpha-synuclein fibrils
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein
Authors:Balana, J.A, Nguyen, A.B, Saelices, L, Pratt, R.M.
Deposit date:2023-03-07
Release date:2023-11-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:O-GlcNAc forces an alpha-synuclein amyloid strain with notably diminished seeding and pathology.
Nat.Chem.Biol., 20, 2024
6HKI
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BU of 6hki by Molmil
Crystal structure of surface entropy mutant of human O-GlcNAc hydrolase
Descriptor: Protein O-GlcNAcase
Authors:Males, A, Davies, G.J.
Deposit date:2018-09-06
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural studies of a surface-entropy reduction mutant of O-GlcNAcase.
Acta Crystallogr D Struct Biol, 75, 2019
2YDQ
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BU of 2ydq by Molmil
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
2YDS
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BU of 2yds by Molmil
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
2YDR
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BU of 2ydr by Molmil
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
2J62
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BU of 2j62 by Molmil
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
2XPK
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BU of 2xpk by Molmil
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
2VUR
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BU of 2vur by Molmil
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
4AY6
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BU of 4ay6 by Molmil
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
4AY5
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BU of 4ay5 by Molmil
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
5VVX
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BU of 5vvx by Molmil
Structural Investigations of the Substrate Specificity of Human O-GlcNAcase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lamin B1, Protein O-GlcNAcase
Authors:Li, B, Jiang, J, Li, H, Hu, C.-W.
Deposit date:2017-05-21
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
5VVO
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BU of 5vvo by Molmil
Structural Investigations of the Substrate Specificity of Human O-GlcNAcase
Descriptor: Protein O-GlcNAcase
Authors:Li, B, Jiang, J, Li, H, Hu, C.-W.
Deposit date:2017-05-19
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
5VVU
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BU of 5vvu by Molmil
Structural Investigations of the Substrate Specificity of Human O-GlcNAcase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, TAB1 peptide
Authors:Li, B, Jiang, J, Li, H, Hu, C.-W.
Deposit date:2017-05-20
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
5VVT
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BU of 5vvt by Molmil
Structural Investigations of the Substrate Specificity of Human O-GlcNAcase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ELK1 peptide, Protein O-GlcNAcase
Authors:Li, B, Jiang, J, Li, H, Hu, C.-W.
Deposit date:2017-05-20
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017

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