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1OKZ
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BU of 1okz by Molmil
Structure of human PDK1 kinase domain in complex with UCN-01
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
1W9V
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Specificity and affinity of natural product cyclopentapeptide argifin against Aspergillus fumigatus
分子名称: ARGIFIN, CHITINASE, SULFATE ION
著者Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F.
登録日2004-10-19
公開日2005-01-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1WB0
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specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase
分子名称: ARGIFIN, CHITOTRIOSIDASE 1, GLYCEROL, ...
著者Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F.
登録日2004-10-29
公開日2005-01-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1WCH
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BU of 1wch by Molmil
Crystal structure of PTPL1 human tyrosine phosphatase mutated in colorectal cancer - evidence for a second phosphotyrosine substrate recognition pocket
分子名称: PHOSPHATE ION, PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 13
著者Villa, F, Deak, M, Bloomberg, G.B, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-11-16
公開日2004-12-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Ptpl1/Fap-1 Human Tyrosine Phosphatase Mutated in Colorectal Cancer: Eveidence for a Second Phosphotyrosine Substrate Recognition Pocket
J.Biol.Chem., 280, 2005
2BEM
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BU of 2bem by Molmil
Crystal structure of the Serratia marcescens chitin-binding protein CBP21
分子名称: 1,2-ETHANEDIOL, CBP21, SODIUM ION, ...
著者Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
登録日2004-11-26
公開日2004-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2BEN
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Crystal structure of the Serratia marcescens chitin-binding protein CBP21 Y54A mutant.
分子名称: CBP21
著者Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
登録日2004-11-26
公開日2004-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2C07
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Oxoacyl-ACP reductase of Plasmodium falciparum
分子名称: 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION
著者Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F.
登録日2005-08-26
公開日2005-10-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
1W1D
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Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to Inositol (1,3,4,5)-tetrakisphosphate
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, GOLD ION, ...
著者Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-06-21
公開日2004-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
3ZJ0
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The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase
分子名称: 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ...
著者Rao, F.V, Schuettelkopf, A.W, Dorfmueller, H.C, Ferenbach, A.T, Navratilova, I, van Aalten, D.M.F.
登録日2013-01-15
公開日2013-10-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain.
Open Biol., 3, 2013
3ZF8
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Crystal structure of Saccharomyces cerevisiae Mnn9 in complex with GDP and Mn.
分子名称: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, MANNAN POLYMERASE COMPLEXES SUBUNIT MNN9
著者Striebeck, A, Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2012-12-10
公開日2013-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Yeast Mnn9 is Both a Priming Glycosyltransferase and an Allosteric Activator of Mannan Biosynthesis.
Open Biol., 3, 2013
4AG7
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BU of 4ag7 by Molmil
C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): coenzyme A adduct
分子名称: COENZYME A, GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE
著者Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F.
登録日2012-01-24
公開日2012-07-25
最終更新日2012-08-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ...
著者Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F.
登録日2012-01-24
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献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
4AY1
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BU of 4ay1 by Molmil
Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties
分子名称: 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
著者Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F.
登録日2012-06-17
公開日2012-08-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
4AY5
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Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ...
著者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.
登録日2012-06-18
公開日2012-10-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献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
分子名称: (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, ...
著者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.
登録日2012-06-18
公開日2012-10-24
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4BHU
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BU of 4bhu by Molmil
Crystal structure of BslA - A bacterial hydrophobin
分子名称: CHLORIDE ION, GLYCEROL, UNCHARACTERIZED PROTEIN YUAB
著者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.
登録日2013-04-08
公開日2013-08-14
最終更新日2013-08-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Bsla is a Self-Assembling Bacterial Hydrophobin that Coats the Bacillus Subtilis Biofilm.
Proc.Natl.Acad.Sci.USA, 110, 2013
4BJU
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Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target
分子名称: MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE
著者Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F.
登録日2013-04-19
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target.
Biosci.Rep, 33, 2013
4BOK
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Crystal structure of Bacillus circulans TN-31 Aman6
分子名称: ALPHA-1,6-MANNANASE
著者Striebeck, A, van Aalten, D.M.F.
登録日2013-05-21
公開日2014-05-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
To be Published
4BOJ
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BU of 4boj by Molmil
Crystal structure of Bacillus circulans TN-31 Aman6 in complex with mannobiose
分子名称: ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
著者Striebeck, A, van Aalten, D.M.F.
登録日2013-05-21
公開日2014-05-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
To be Published
4CAX
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Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646)
分子名称: 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
著者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.
登録日2013-10-09
公開日2014-09-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAV
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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
分子名称: 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, ...
著者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.
登録日2013-10-09
公開日2014-09-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAW
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BU of 4caw by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
分子名称: 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
著者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.
登録日2013-10-09
公開日2014-09-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
1UNQ
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High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE
著者Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
登録日2003-09-12
公開日2004-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
1UNR
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Crystal structure of the PH domain of PKB alpha in complex with a sulfate molecule
分子名称: RAC-ALPHA SERINE/THREONINE KINASE, SULFATE ION
著者Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
登録日2003-09-15
公開日2004-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
2VKI
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Structure of the PDK1 PH domain K465E mutant
分子名称: 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION
著者Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F.
登録日2007-12-19
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance.
Mol.Cell.Biol., 28, 2008

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