4BHU
 
 | | Crystal structure of BslA - A bacterial hydrophobin | | Descriptor: | CHLORIDE ION, GLYCEROL, UNCHARACTERIZED PROTEIN YUAB | | Authors: | Rao, F.V, Hobley, L, Ostrowski, A, Bromley, K.M, Porter, M, Prescott, A.R, Swedlow, J.R, MacPhee, C.E, van Aalten, D.M.F, Stanley-Wall, N.R. | | Deposit date: | 2013-04-08 | | Release date: | 2013-08-14 | | Last modified: | 2013-08-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Bsla is a Self-Assembling Bacterial Hydrophobin that Coats the Bacillus Subtilis Biofilm.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4AG7
 | | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): coenzyme A adduct | | Descriptor: | COENZYME A, GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE | | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | | Deposit date: | 2012-01-24 | | Release date: | 2012-07-25 | | Last modified: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1.
Acta Crystallogr.,Sect.D, 68, 2012
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4AG9
 | | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): ternary complex with coenzyme A and GlcNAc | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ... | | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | | Deposit date: | 2012-01-24 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1.
Acta Crystallogr.,Sect.D, 68, 2012
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4AY1
 | | Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3-LIKE PROTEIN 2 | | Authors: | Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F. | | Deposit date: | 2012-06-17 | | Release date: | 2012-08-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
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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
 | | 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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1EAZ
 | | Crystal structure of the phosphoinositol (3,4)-bisphosphate binding PH domain of TAPP1 from human. | | Descriptor: | CITRIC ACID, TANDEM PH DOMAIN CONTAINING PROTEIN-1 | | Authors: | Thomas, C.C, Dowler, S, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2001-07-17 | | Release date: | 2002-07-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of the Phosphatidylinositol 3,4-Bisphosphate-Binding Pleckstrin Homology (Ph) Domain of Tandem Ph-Domain-Containing Protein 1 (Tapp1): Molecular Basis of Lipid Specificity
Biochem.J., 358, 2001
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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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1H1W
 | | High resolution crystal structure of the human PDK1 catalytic domain | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2002-07-23 | | Release date: | 2003-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site
Embo J., 21, 2003
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1H10
 | | HIGH RESOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B/AKT BOUND TO INS(1,3,4,5)-TETRAKISPHOPHATE | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | | Authors: | Thomas, C.C, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2002-07-01 | | Release date: | 2003-06-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High Resolution Structure of the Pleckstrin Homology Domain of Protein Kinase B/Akt Bound to Phosphatidylinositol (3,4,5)-Trisphosphate
Curr.Biol., 12, 2002
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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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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
 | | 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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2CBJ
 | | Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc | | Descriptor: | CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | | Authors: | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | | Deposit date: | 2006-01-05 | | Release date: | 2006-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
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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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1W1A
 | | Structure of Bacillus subtilis PdaA in complex with NAG, a family 4 Carbohydrate esterase. | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CADMIUM ION, GLYCEROL, ... | | Authors: | Blair, D.E, van Aalten, D.M.F. | | Deposit date: | 2004-06-18 | | Release date: | 2005-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine.
FEBS Lett., 570, 2004
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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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2IW0
 | | Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum | | Descriptor: | ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ... | | Authors: | Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F. | | Deposit date: | 2006-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
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2HRL
 | | Siglec-7 in complex with GT1b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Attrill, H, Imamura, A, Sharma, R.S, Kiso, M, Crocker, P.R, van Aalten, D.M.F. | | Deposit date: | 2006-07-20 | | Release date: | 2006-08-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Siglec-7 Undergoes a Major Conformational Change When Complexed with the {alpha}(2,8)-Disialylganglioside GT1b
J.Biol.Chem., 281, 2006
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1W1D
 | | Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to Inositol (1,3,4,5)-tetrakisphosphate | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, GOLD ION, ... | | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2004-06-21 | | Release date: | 2004-11-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
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1W1B
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2JLB
 | | Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ... | | Authors: | Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F. | | Deposit date: | 2008-09-07 | | Release date: | 2008-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
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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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2BEM
 | | Crystal structure of the Serratia marcescens chitin-binding protein CBP21 | | Descriptor: | 1,2-ETHANEDIOL, CBP21, SODIUM ION, ... | | Authors: | Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F. | | Deposit date: | 2004-11-26 | | Release date: | 2004-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
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2CH9
 | | Crystal structure of dimeric human cystatin F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Schuettelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2006-03-13 | | Release date: | 2006-04-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
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