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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3CHE
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3CHC
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3CH9
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3CHF
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3CHD
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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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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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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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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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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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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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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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1UNP
 | | Crystal structure of the pleckstrin homology domain of PKB alpha | | Descriptor: | RAC-ALPHA SERINE/THREONINE KINASE | | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2003-09-12 | | Release date: | 2004-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
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1W1B
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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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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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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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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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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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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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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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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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1UNQ
 | | High resolution crystal 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: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2003-09-12 | | Release date: | 2004-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
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1UNR
 | | Crystal structure of the PH domain of PKB alpha in complex with a sulfate molecule | | Descriptor: | RAC-ALPHA SERINE/THREONINE KINASE, SULFATE ION | | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2003-09-15 | | Release date: | 2004-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
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