Author results

1W17
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STRUCTURE OF BACILLUS SUBTILIS PDAA, A FAMILY 4 CARBOHYDRATE ESTERASE.
Descriptor:PROBABLE POLYSACCHARIDE DEACETYLASE PDAA
Authors:Blair, D.E., van Aalten, D.M.F.
Deposit date:2004-06-17
Release date:2005-01-10
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine.
FEBS Lett., 570, 2004
1W1A
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STRUCTURE OF BACILLUS SUBTILIS PDAA IN COMPLEX WITH NAG, A FAMILY 4 CARBOHYDRATE ESTERASE.
Descriptor:PROBABLE POLYSACCHARIDE DEACETYLASE PDAA, CADMIUM ION, GLYCEROL, ...
Authors:Blair, D.E., van Aalten, D.M.F.
Deposit date:2004-06-18
Release date:2005-01-10
Last modified:2018-02-28
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
1W1B
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STRUCTURE OF BACILLUS SUBTILIS PDAA WITH CADMIUM, A FAMILY 4 CARBOHYDRATE ESTERASE.
Descriptor:PROBABLE POLYSACCHARIDE DEACETYLASE PDAA, CADMIUM ION
Authors:Blair, D.E., van Aalten, D.M.F.
Deposit date:2004-06-18
Release date:2005-04-22
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine.
FEBS Lett., 570, 2004
2C1G
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STRUCTURE OF STREPTOCOCCUS PNEUMONIAE PEPTIDOGLYCAN DEACETYLASE (SPPGDA)
Descriptor:PEPTIDOGLYCAN GLCNAC DEACETYLASE, ACETATE ION, ZINC ION, ...
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:2018-02-28
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
2C1I
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STRUCTURE OF STREPTOCOCCUS PNEUMONIAE PEPTIDOGLYCAN DEACETYLASE (SPPGDA) D 275 N MUTANT.
Descriptor:PEPTIDOGLYCAN GLCNAC DEACETYLASE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ZINC 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:2018-02-28
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
2IW0
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STRUCTURE OF THE CHITIN DEACETYLASE FROM THE FUNGAL PATHOGEN COLLETOTRICHUM LINDEMUTHIANUM
Descriptor:CHITIN DEACETYLASE, ZINC ION, ACETATE 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:2011-07-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
2XGM
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SUBSTRATE AND PRODUCT ANALOGUES AS HUMAN O-GLCNAC TRANSFERASE INHIBITORS.
Descriptor:XCOGT, ALLOXAN
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
2XGO
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XCOGT IN COMPLEX WITH UDP-S-GLCNAC
Descriptor:XCOGT, URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE
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:2011-10-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor:XCOGT, 5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE
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:2011-10-26
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Amino Acids, 40, 2011
2XUC
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NATURAL PRODUCT-GUIDED DISCOVERY OF A FUNGAL CHITINASE INHIBITOR
Descriptor:CHITINASE, 1-methyl-3-(N-methylcarbamimidoyl)urea, PHOSPHATE ION, ...
Authors:Rush, C.L., Schuttelkopf, A.W., Hurtado-Guerrero, R., Blair, D.E., Ibrahim, A.F.M., Desvergnes, S., Eggleston, I.M., van Aalten, D.M.F.
Deposit date:2010-10-18
Release date:2010-10-27
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2XVN
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A. FUMIGATUS CHITINASE A1 PHENYL-METHYLGUANYLUREA COMPLEX
Descriptor:ASPERGILLUS FUMIGATUS CHITINASE A1, 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, CHLORIDE ION
Authors:Rush, C.L., Schuttelkopf, A.W., Hurtado-Guerrero, R., Blair, D.E., Ibrahim, A.F.M., Desvergnes, S., Eggleston, I.M., van Aalten, D.M.F.
Deposit date:2010-10-26
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
4AG7
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C. ELEGANS GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE (GNA1): COENZYME A ADDUCT
Descriptor:GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE, 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: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
4AG9
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C. ELEGANS GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE (GNA1): TERNARY COMPLEX WITH COENZYME A AND GLCNAC
Descriptor:GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE, COENZYME A, 1,2-ETHANEDIOL, ...
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 (1.76 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
4AY5
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HUMAN O-GLCNAC TRANSFERASE (OGT) IN COMPLEX WITH UDP AND GLYCOPEPTIDE
Descriptor:UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, GTAB1TIDE, URIDINE-5'-DIPHOSPHATE, ...
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 (3.15 Å)
Cite:O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4AY6
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HUMAN O-GLCNAC TRANSFERASE (OGT) IN COMPLEX WITH UDP-5SGLCNAC AND SUBSTRATE PEPTIDE
Descriptor:UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANS FERASE 110 KDA SUBUNIT, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, SULFATE ION, ...
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
4CAV
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CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS N-MYRISTOYL TRANSFERASE IN COMPLEX WITH MYRISTOYL COA AND A BENZOFURAN LIGAND R0-09-4879
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, CHLORIDE ION, 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, ...
Authors:Robinson, D.A., Fang, W., Raimi, O.G., Blair, D.E., Harrison, J., Ruda, G.F., Lockhart, D.E.A., Torrie, L.S., Wyatt, P.G., Gilbert, I.H., Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAW
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CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS N-MYRISTOYL TRANSFERASE IN COMPLEX WITH MYRISTOYL COA AND A PYRAZOLE SULPHONAMIDE LIGAND
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, TETRADECANOYL-COA
Authors:Robinson, D.A., Fang, W., Raimi, O.G., Blair, D.E., Harrison, J., Ruda, G.F., Lockhart, D.E.A., Torrie, L.S., Wyatt, P.G., Gilbert, I.H., Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAX
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CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS N-MYRISTOYL TRANSFERASE IN COMPLEX WITH MYRISTOYL COA AND A PYRAZOLE SULPHONAMIDE LIGAND (DDD85646)
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
Authors:Raimi, O.G., Robinson, D.A., Fang, W., Blair, D.E., Harrison, J., Ruda, G.F., Lockhart, D.E.A., Torrie, L.S., Wyatt, P.G., Gilbert, I.H., Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
5BNW
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THE ACTIVE SITE OF O-GLCNAC TRANSFERASE IMPOSES CONSTRAINTS ON SUBSTRATE SEQUENCE
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191, (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
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:2015-09-16
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
4TX6
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AFCHIA1 IN COMPLEX WITH COMPOUND 1
Descriptor:Class III chitinase ChiA1, 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, PHOSPHATE ION
Authors:van Aalten, D.M.F.
Deposit date:2014-07-02
Release date:2014-08-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
4TXE
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SCCTS1 IN COMPLEX WITH COMPOUND 5
Descriptor:Endochitinase, (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
Authors:Schuettelkopf, A.W., van Aalten, D.M.F.
Deposit date:2014-07-03
Release date:2014-08-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
2XTK
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CHIA1 FROM ASPERGILLUS FUMIGATUS IN COMPLEX WITH ACETAZOLAMIDE
Descriptor:CLASS III CHITINASE CHIA1, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, PHOSPHATE ION
Authors:Schuettelkopf, A.W., van Aalten, D.M.F.
Deposit date:2010-10-11
Release date:2011-10-26
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acetazolamide-Based Fungal Chitinase Inhibitors.
Bioorg.Med.Chem., 18, 2010
2XVP
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CHIA1 FROM ASPERGILLUS FUMIGATUS, APOSTRUCTURE
Descriptor:CLASS III CHITINASE CHIA1, PHOSPHATE ION
Authors:Schuettelkopf, A.W., van Aalten, D.M.F.
Deposit date:2010-10-27
Release date:2011-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
4XI9
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HUMAN OGT IN COMPLEX WITH UDP-5S-GLCNAC AND SUBSTRATE PEPTIDE (RBL2)
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, Retinoblastoma-like protein 2, (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
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
4XIF
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HUMAN OGT IN COMPLEX WITH UDP-5S-GLCNAC AND SUBSTRATE PEPTIDE (KERATIN-7)
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, 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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