Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
1W17
DownloadVisualize
BU of 1w17 by Molmil
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:2019-07-24
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
DownloadVisualize
BU of 1w1a by Molmil
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:2020-07-29
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
DownloadVisualize
BU of 1w1b by Molmil
Structure of Bacillus subtilis PdaA with Cadmium, a family 4 Carbohydrate esterase.
Descriptor: CADMIUM ION, PROBABLE POLYSACCHARIDE DEACETYLASE PDAA
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
2IW0
DownloadVisualize
BU of 2iw0 by Molmil
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:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
2C1G
DownloadVisualize
BU of 2c1g by Molmil
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: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
DownloadVisualize
BU of 2c1i by Molmil
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
2XGM
DownloadVisualize
BU of 2xgm by Molmil
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
2XUC
DownloadVisualize
BU of 2xuc by Molmil
Natural product-guided discovery of a fungal chitinase inhibitor
Descriptor: 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, 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:2010-10-18
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
DownloadVisualize
BU of 2xvn by Molmil
A. fumigatus chitinase A1 phenyl-methylguanylurea complex
Descriptor: 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, 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
2XGS
DownloadVisualize
BU of 2xgs by Molmil
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
2XGO
DownloadVisualize
BU of 2xgo by Molmil
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
5BNW
DownloadVisualize
BU of 5bnw by Molmil
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
4AG7
DownloadVisualize
BU of 4ag7 by Molmil
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
4AG9
DownloadVisualize
BU of 4ag9 by Molmil
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
4AY5
DownloadVisualize
BU of 4ay5 by Molmil
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
4AY6
DownloadVisualize
BU of 4ay6 by Molmil
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
4CAW
DownloadVisualize
BU of 4caw by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
Descriptor: 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 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
DownloadVisualize
BU of 4cax by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646)
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
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
4CAV
DownloadVisualize
BU of 4cav by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879
Descriptor: 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
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:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4TXE
DownloadVisualize
BU of 4txe by Molmil
ScCTS1 in complex with compound 5
Descriptor: (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2014-07-03
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
4TX6
DownloadVisualize
BU of 4tx6 by Molmil
AfChiA1 in complex with compound 1
Descriptor: 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION
Authors:van Aalten, D.M.F.
Deposit date:2014-07-02
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
4XI9
DownloadVisualize
BU of 4xi9 by Molmil
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
4XIF
DownloadVisualize
BU of 4xif by Molmil
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
2XTK
DownloadVisualize
BU of 2xtk by Molmil
ChiA1 from Aspergillus fumigatus in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CLASS III CHITINASE CHIA1, 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
DownloadVisualize
BU of 2xvp by Molmil
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:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon