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5BNW
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The active site of O-GlcNAc transferase imposes constraints on substrate sequence
分子名称: (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
著者Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F.
登録日2015-05-26
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
2VUR
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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
2WB5
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GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation
分子名称: (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, ...
著者Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F.
登録日2009-02-20
公開日2009-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation
Biochem.J., 420, 2009
2J62
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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
4AY6
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Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide
分子名称: (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, ...
著者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.
登録日2012-06-18
公開日2012-10-24
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4AY5
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Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ...
著者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.
登録日2012-06-18
公開日2012-10-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
2YDQ
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CpOGA D298N in complex with hOGA-derived O-GlcNAc peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BIFUNCTIONAL PROTEIN NCOAT, CADMIUM ION, ...
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2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
2YDR
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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
2XGM
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Substrate and product analogues as human O-GlcNAc transferase inhibitors.
分子名称: ALLOXAN, XCOGT
著者Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M.
登録日2010-06-07
公開日2010-08-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Amino Acids, 40, 2011
2XGS
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XcOGT in complex with C-UDP
分子名称: 5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, XCOGT
著者Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M.
登録日2010-06-07
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Amino Acids, 40, 2011
2XGO
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XcOGT in complex with UDP-S-GlcNAc
分子名称: URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE, XCOGT
著者Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M.
登録日2010-06-07
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Amino Acids, 40, 2011
2XPK
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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
2YDS
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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
5OXD
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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
4CDR
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Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1
分子名称: GOBLIN1, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 KDA SUBUNIT, ...
著者Schimpl, M, Gundogdu, M, van Aalten, D.M.F.
登録日2013-11-05
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Bisubstrate Udp-Peptide Conjugates as Human O-Glcnac Transferase Inhibitors.
Biochem.J., 457, 2014
5C1D
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Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L)
分子名称: (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, PHOSPHATE ION, Retinoblastoma-like protein 2, ...
著者Schimpl, M, Rafie, K, van Aalten, D.M.F.
登録日2015-06-13
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
6RHE
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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2024-02-07
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
6IBO
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Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability
分子名称: (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, ALA-VAL-SER-ARG-ALA, PHOSPHATE ION, ...
著者Gundogdu, M, van Aalten, D.M.F.
登録日2018-11-30
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability.
Proc.Natl.Acad.Sci.USA, 116, 2019
5NPR
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The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor
分子名称: POTASSIUM ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate, ...
著者Rafie, K, van Aalten, D.M.F.
登録日2017-04-18
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018
5NPS
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The human O-GlcNAc transferase in complex with a bisubstrate inhibitor
分子名称: 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate
著者Rafie, K, van Aalten, D.
登録日2017-04-18
公開日2018-05-16
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018
5LVV
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Human OGT in complex with UDP and fused substrate peptide (Tab1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
著者Raimi, O.
登録日2016-09-14
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
5LWV
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Human OGT in complex with UDP and fused substrate peptide (HCF1)
分子名称: GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ...
著者Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D.
登録日2016-09-19
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
4XIF
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Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7)
分子名称: (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, Keratin, type II cytoskeletal 7, ...
著者Schimpl, M, van Aalten, D.M.F.
登録日2015-01-06
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
4ZXL
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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
4XI9
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Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2)
分子名称: (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, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Schimpl, M, van Aalten, D.M.F.
登録日2015-01-06
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015

 

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