1F57
 
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5A0F
 | | Crystal structure of Yersinia Afp18-modified RhoA | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | | Deposit date: | 2015-04-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos.
Nat Commun, 6, 2015
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1GPF
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2G5R
 | | Crystal structure of Siglec-7 in complex with methyl-9-(aminooxalyl-amino)-9-deoxyNeu5Ac (oxamido-Neu5Ac) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Sialic acid-binding Ig-like lectin 7, ... | | Authors: | Attrill, H, Crocker, P.R, van Aalten, D.M. | | Deposit date: | 2006-02-23 | | Release date: | 2006-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design.
Biochem.J., 397, 2006
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2CB8
 | | High resolution crystal structure of liganded human L-ACBP | | Descriptor: | 2-METHOXYETHANOL, ACYL-COA-BINDING PROTEIN, SULFATE ION, ... | | Authors: | Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K. | | Deposit date: | 2006-01-03 | | Release date: | 2006-10-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High Resolution Crystal Structures of Unliganded and Liganded Human Liver Acbp Reveal a New Mode of Binding for the Acyl-Coa Ligand.
Proteins: Struct., Funct., Bioinf., 66, 2007
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2FJ9
 | | High resolution crystal structure of the unliganded human ACBP | | Descriptor: | Acyl-CoA-binding protein, CHLORIDE ION, LEAD (II) ION, ... | | Authors: | Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K. | | Deposit date: | 2006-01-02 | | Release date: | 2006-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High resolution crystal structures of unliganded and liganded human liver ACBP reveal a new mode of binding for the acyl-CoA ligand.
Proteins, 66, 2006
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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: | 2011-10-12 | | 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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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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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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1CW9
 | | DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE | | Descriptor: | 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION | | Authors: | van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L. | | Deposit date: | 1999-08-26 | | Release date: | 1999-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A structural snapshot of base-pair opening in DNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1D7E
 | | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 1999-10-17 | | Release date: | 2000-03-31 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility.
Protein Sci., 9, 2000
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1KOU
 | | Crystal Structure of the Photoactive Yellow Protein Reconstituted with Caffeic Acid at 1.16 A Resolution | | Descriptor: | CAFFEIC ACID, N-BUTANE, PHOTOACTIVE YELLOW PROTEIN | | Authors: | van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 2001-12-22 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure of the photoactive yellow protein reconstituted with caffeic acid at 1.16 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
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1HBK
 | | Acyl-CoA binding protein from Plasmodium falciparum | | Descriptor: | ACYL-COA BINDING PROTEIN, COENZYME A, MYRISTIC ACID, ... | | Authors: | van Aalten, D.M.F. | | Deposit date: | 2001-04-16 | | Release date: | 2001-05-15 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein.
J. Mol. Biol., 309, 2001
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4WPG
 | | Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ... | | Authors: | van der Beek, S.L, Le Breton, Y, Ferenbach, A.T, van Aalten, D.M.F, Navratilova, I, McIver, K, van Sorge, N.M, Dorfmueller, H.C. | | Deposit date: | 2014-10-18 | | Release date: | 2015-09-09 | | Last modified: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | GacA is essential for Group A Streptococcus and defines a new class of monomeric dTDP-4-dehydrorhamnose reductases (RmlD).
Mol.Microbiol., 98, 2015
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4XI9
 | | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) | | 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, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Schimpl, M, van Aalten, D.M.F. | | Deposit date: | 2015-01-06 | | Release date: | 2015-08-05 | | Last modified: | 2015-09-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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5DIY
 | | Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | | Authors: | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | | Deposit date: | 2015-09-01 | | Release date: | 2015-10-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
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5DJS
 | | Thermobaculum terrenum O-GlcNAc transferase mutant - K341M | | Descriptor: | Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE | | Authors: | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | | Deposit date: | 2015-09-02 | | Release date: | 2015-10-28 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
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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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3GNI
 | | Structure of STRAD and MO25 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Protein Mo25, ... | | Authors: | Zeqiraj, E, Goldie, S, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2009-03-17 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor
Plos Biol., 7, 2009
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4XIF
 | | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) | | 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, Keratin, type II cytoskeletal 7, ... | | Authors: | Schimpl, M, van Aalten, D.M.F. | | Deposit date: | 2015-01-06 | | Release date: | 2015-08-05 | | Last modified: | 2015-09-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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4ZXL
 | | 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
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5A01
 | | O-GlcNAc transferase from Drososphila melanogaster | | 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, O-GLYCOSYLTRANSFERASE | | Authors: | Mariappa, D, Zheng, X, Schimpl, M, Raimi, O, Rafie, K, Ferenbach, A.T, Mueller, H.J, van Aalten, D.M.F. | | Deposit date: | 2015-04-15 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Dual functionality of O-GlcNAc transferase is required for Drosophila development.
Open Biol, 5, 2015
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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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5C1D
 | | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L) | | 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, PHOSPHATE ION, Retinoblastoma-like protein 2, ... | | Authors: | Schimpl, M, Rafie, K, van Aalten, D.M.F. | | Deposit date: | 2015-06-13 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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1O6I
 | | Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4. | | Descriptor: | Chitinase, GLYCEROL, SULFATE ION, ... | | Authors: | Houston, D.R, Eggleston, I, Synstad, B, Eijsink, V.G.H, van Aalten, D.M.F. | | Deposit date: | 2002-10-03 | | Release date: | 2003-03-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate.
Biochem. J., 368, 2002
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