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1HJW
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BU of 1hjw by Molmil
Crystal structure of hcgp-39 in complex with chitin octamer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
登録日2003-02-28
公開日2003-03-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes
J.Biol.Chem., 278, 2003
2V3S
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BU of 2v3s by Molmil
Structural insights into the recognition of substrates and activators by the OSR1 kinase
分子名称: ACETATE ION, SERINE/THREONINE-PROTEIN KINASE OSR1, SERINE/THREONINE-PROTEIN KINASE WNK4
著者Villa, F, Goebel, J, Rafiqi, F.H, Deak, M, Thastrup, J, Alessi, D.R, van Aalten, D.M.F.
登録日2007-06-21
公開日2007-07-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights Into the Recognition of Substrates and Activators by the Osr1 Kinase
Embo Rep., 8, 2007
2W3Z
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BU of 2w3z by Molmil
Structure of a Streptococcus mutans CE4 esterase
分子名称: PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION
著者Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W.
登録日2008-11-17
公開日2008-12-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin.
J.Bacteriol., 191, 2009
2VXK
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BU of 2vxk by Molmil
Structural comparison between Aspergillus fumigatus and human GNA1
分子名称: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, GLUCOSAMINE 6-PHOSPHATE ACETYLTRANSFERASE, ...
著者Hurtado-Guerrero, R, Raimi, O.G, Min, J, Zeng, H, Vallius, L, Shepherd, S, Ibrahim, A.F.M, Wu, H, Plotnikov, A.N, van Aalten, D.M.F.
登録日2008-07-05
公開日2008-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Differences between Human and Aspergillus Fumigatus D-Glucosamine-6- Phosphate N-Acetyltransferase.
Biochem.J., 415, 2008
2WZG
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BU of 2wzg by Molmil
Legionella glucosyltransferase (Lgt1) crystal structure
分子名称: GLUCOSYLTRANSFERASE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, Van Aalten, D.M.F.
登録日2009-11-29
公開日2009-12-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase.
Biochem.J., 426, 2010
2VSY
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Xanthomonas campestris putative OGT (XCC0866), apostructure
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
登録日2008-05-01
公開日2008-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
2UY2
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ScCTS1_apo crystal structure
分子名称: ENDOCHITINASE, GLYCEROL
著者Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2UY4
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ScCTS1_acetazolamide crystal structure
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ENDOCHITINASE
著者Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2VUR
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BU of 2vur by Molmil
Chemical dissection of the link between Streptozotocin, O-GlcNAc and pancreatic cell death
分子名称: 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose, O-GLCNACASE NAGJ, SULFATE ION
著者Pathak, S, Dorfmueller, H.C, Borodkin, V.S, van Aalten, D.M.F.
登録日2008-05-29
公開日2009-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemical Dissection of the Link between Streptozotocin, O-Glcnac, and Pancreatic Cell Death.
Chem.Biol., 15, 2008
2WB5
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BU of 2wb5 by Molmil
GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation
分子名称: (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, CHLORIDE ION, O-GLCNACASE NAGJ, ...
著者Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F.
登録日2009-02-20
公開日2009-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation
Biochem.J., 420, 2009
2XSA
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BU of 2xsa by Molmil
OgOGA apostructure
分子名称: CHLORIDE ION, HYALURONOGLUCOSAMINIDASE
著者Schuttelkopf, A.W, van Aalten, D.M.F.
登録日2010-09-27
公開日2011-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
2XUC
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Natural product-guided discovery of a fungal chitinase inhibitor
分子名称: 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ...
著者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.
登録日2010-10-18
公開日2010-10-27
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2WZF
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BU of 2wzf by Molmil
Legionella pneumophila glucosyltransferase crystal structure
分子名称: GLUCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, van Aalten, D.M.F.
登録日2009-11-29
公開日2009-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase.
Biochem.J., 426, 2010
2W63
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARITRIOSE AND LAMINARITETRAOSE
分子名称: GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Schuettelkopf, A.W, Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2008-12-16
公開日2009-01-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W61
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Saccharomyces cerevisiae Gas2p apostructure (E176Q mutant)
分子名称: GLYCOLIPID-ANCHORED SURFACE PROTEIN 2
著者Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2008-12-16
公開日2009-02-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W62
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Saccharomyces cerevisiae Gas2p in complex with laminaripentaose
分子名称: 1,4-BUTANEDIOL, GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2008-12-16
公開日2009-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2VEZ
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AfGNA1 crystal structure complexed with Acetyl-CoA and Glucose-6P gives new insights into catalysis
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, PHOSPHATE ION, ...
著者Hurtado-Guerrero, R, Raimi, O, Shepherd, S, van Aalten, D.M.F.
登録日2007-10-27
公開日2009-03-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Glucose-6-Phosphate as a Probe for the Glucosamine- 6-Phosphate N-Acetyltransferase Michaelis Complex.
FEBS Lett., 581, 2007
2VYO
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Chitin deacetylase family member from Encephalitozoon cuniculi
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Urch, J.E, Hurtado-Guerrero, R, Texier, C, Van Aalten, D.M.F.
登録日2008-07-25
公開日2008-08-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Characterization of a Putative Polysaccharide Deacetylase of the Human Parasite Encephalitozoon Cuniculi.
Protein Sci., 18, 2009
2XVN
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A. fumigatus chitinase A1 phenyl-methylguanylurea complex
分子名称: 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION
著者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.
登録日2010-10-26
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2XZ3
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BLV TM hairpin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ...
著者Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F.
登録日2010-11-22
公開日2011-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
2XVP
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ChiA1 from Aspergillus fumigatus, apostructure
分子名称: CLASS III CHITINASE CHIA1, PHOSPHATE ION
著者Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2010-10-27
公開日2011-06-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2XPK
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Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases
分子名称: N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ
著者Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F.
登録日2010-08-26
公開日2011-03-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases.
Chem.Biol, 17, 2010
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
2UVM
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Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate
分子名称: BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION
著者Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L.
登録日2007-03-12
公開日2007-04-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
2UY3
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ScCTS1_8-chlorotheophylline crystal structure
分子名称: 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, ENDOCHITINASE
著者Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007

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