5DJS
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![BU of 5djs by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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5C1D
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![BU of 5c1d by Molmil](/molmil-images/mine/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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4XIF
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![BU of 4xif by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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5A01
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![BU of 5a01 by Molmil](/molmil-images/mine/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
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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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5A0F
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![BU of 5a0f by Molmil](/molmil-images/mine/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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1O6I
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![BU of 1o6i by Molmil](/molmil-images/mine/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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3ZJ0
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![BU of 3zj0 by Molmil](/molmil-images/mine/3zj0) | The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ... | Authors: | Rao, F.V, Schuettelkopf, A.W, Dorfmueller, H.C, Ferenbach, A.T, Navratilova, I, van Aalten, D.M.F. | Deposit date: | 2013-01-15 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain. Open Biol., 3, 2013
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3ZF8
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![BU of 3zf8 by Molmil](/molmil-images/mine/3zf8) | |
1HNO
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![BU of 1hno by Molmil](/molmil-images/mine/1hno) | CRYSTAL STRUCTURE OF PEROXISOMAL DELTA3-DELTA2-ENOYL-COA ISOMERASE FROM SACCHAROMYCES CEREVISIAE | Descriptor: | 1,2-ETHANEDIOL, D3,D2-ENOYL COA ISOMERASE ECI1 | Authors: | Mursula, A.M, van Aalten, D.M.F, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2000-12-08 | Release date: | 2001-06-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of delta(3)-delta(2)-enoyl-CoA isomerase. J.Mol.Biol., 309, 2001
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2IUZ
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![BU of 2iuz by Molmil](/molmil-images/mine/2iuz) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine | Descriptor: | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION | Authors: | Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F. | Deposit date: | 2006-06-08 | Release date: | 2006-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor J.Biol.Chem., 281, 2006
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1HNU
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![BU of 1hnu by Molmil](/molmil-images/mine/1hnu) | CRYSTAL STRUCTURE OF PEROXISOMAL DELTA3-DELTA2-ENOYL-COA ISOMERASE FROM SACCHAROMYCES CEREVISIAE | Descriptor: | 1,2-ETHANEDIOL, D3,D2-ENOYL COA ISOMERASE ECI1, PERRHENATE | Authors: | Mursula, A.M, van Aalten, D.M.F, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2000-12-08 | Release date: | 2001-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The crystal structure of delta(3)-delta(2)-enoyl-CoA isomerase. J.Mol.Biol., 309, 2001
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1O7V
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![BU of 1o7v by Molmil](/molmil-images/mine/1o7v) | High resolution structure of Siglec-7 | Descriptor: | SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F. | Deposit date: | 2002-11-14 | Release date: | 2003-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family. J.Biol.Chem., 278, 2003
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4CDR
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![BU of 4cdr by Molmil](/molmil-images/mine/4cdr) | Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1 | Descriptor: | GOBLIN1, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 KDA SUBUNIT, ... | Authors: | Schimpl, M, Gundogdu, M, van Aalten, D.M.F. | Deposit date: | 2013-11-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Bisubstrate Udp-Peptide Conjugates as Human O-Glcnac Transferase Inhibitors. Biochem.J., 457, 2014
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3GNI
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![BU of 3gni by Molmil](/molmil-images/mine/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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2A3E
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![BU of 2a3e by Molmil](/molmil-images/mine/2a3e) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ... | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2A3B
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![BU of 2a3b by Molmil](/molmil-images/mine/2a3b) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine | Descriptor: | CAFFEINE, SULFATE ION, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2C1G
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![BU of 2c1g by Molmil](/molmil-images/mine/2c1g) | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, PEPTIDOGLYCAN GLCNAC DEACETYLASE, ... | Authors: | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | Deposit date: | 2005-09-14 | Release date: | 2005-09-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2A3A
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![BU of 2a3a by Molmil](/molmil-images/mine/2a3a) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2BIY
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![BU of 2biy by Molmil](/molmil-images/mine/2biy) | Structure of PDK1-S241A mutant kinase domain | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2005-01-26 | Release date: | 2005-02-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding. J. Biol. Chem., 280, 2005
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2C1I
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![BU of 2c1i by Molmil](/molmil-images/mine/2c1i) | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ... | Authors: | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | Deposit date: | 2005-09-15 | Release date: | 2005-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2CBI
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![BU of 2cbi by Molmil](/molmil-images/mine/2cbi) | Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase | Descriptor: | CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ... | Authors: | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | Deposit date: | 2006-01-04 | Release date: | 2006-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis. EMBO J., 25, 2006
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2A3C
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![BU of 2a3c by Molmil](/molmil-images/mine/2a3c) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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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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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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