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2YDR
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BU of 2ydr by Molmil
CpOGA D298N in complex with p53-derived O-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ...
Authors:Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F.
Deposit date:2011-03-24
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
2VSY
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BU of 2vsy by Molmil
Xanthomonas campestris putative OGT (XCC0866), apostructure
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-05-01
Release date:2008-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
2WZF
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BU of 2wzf by Molmil
Legionella pneumophila glucosyltransferase crystal structure
Descriptor: GLUCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, van Aalten, D.M.F.
Deposit date:2009-11-29
Release date:2009-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase.
Biochem.J., 426, 2010
2WZG
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BU of 2wzg by Molmil
Legionella glucosyltransferase (Lgt1) crystal structure
Descriptor: GLUCOSYLTRANSFERASE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, Van Aalten, D.M.F.
Deposit date:2009-11-29
Release date:2009-12-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase.
Biochem.J., 426, 2010
2XVN
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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
2XZ3
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BU of 2xz3 by Molmil
BLV TM hairpin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ...
Authors:Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F.
Deposit date:2010-11-22
Release date:2011-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
2X0Y
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BU of 2x0y by Molmil
Screening-based discovery of drug-like O-GlcNAcase inhibitor scaffolds
Descriptor: 7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, O-GLCNACASE NAGJ
Authors:Dorfmueller, H.C, van Aalten, D.M.F.
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening-Based Discovery of Drug-Like O-Glcnacase Inhibitor Scaffolds
FEBS Lett., 584, 2010
2XSA
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BU of 2xsa by Molmil
OgOGA apostructure
Descriptor: CHLORIDE ION, HYALURONOGLUCOSAMINIDASE
Authors:Schuttelkopf, A.W, van Aalten, D.M.F.
Deposit date:2010-09-27
Release date:2011-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
2XUC
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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
2XPK
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BU of 2xpk by Molmil
Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases
Descriptor: 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
Authors:Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F.
Deposit date:2010-08-26
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases.
Chem.Biol, 17, 2010
2XVP
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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
2XTK
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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:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acetazolamide-Based Fungal Chitinase Inhibitors.
Bioorg.Med.Chem., 18, 2010
2XWX
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BU of 2xwx by Molmil
Vibrio cholerae colonization factor GbpA crystal structure
Descriptor: GLCNAC-BINDING PROTEIN A
Authors:Wong, E, Vaaje-Kolstad, G, Ghosh, A, Guerrero, R.H, Konarev, P.V, Ibrahim, A.F.M, Svergun, D.I, Eijsink, V.G.H, Chatterjee, N.S, van Aalten, D.M.F.
Deposit date:2010-11-06
Release date:2011-11-16
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Vibrio Cholerae Colonization Factor Gbpa Possesses a Modular Structure that Governs Binding to Different Host Surfaces.
Plos Pathog., 8, 2012
2XSB
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BU of 2xsb by Molmil
OgOGA PUGNAc complex
Descriptor: 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHLORIDE ION, HYALURONOGLUCOSAMINIDASE
Authors:Schuttelkopf, A.W, van Aalten, D.M.F.
Deposit date:2010-09-27
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
2WTK
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BU of 2wtk by Molmil
Structure of the heterotrimeric LKB1-STRADalpha-MO25alpha complex
Descriptor: CALCIUM-BINDING PROTEIN 39, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE 11, ...
Authors:Zeqiraj, E, van Aalten, D.M.F.
Deposit date:2009-09-16
Release date:2009-12-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the Lkb1-Strad-Mo25 Complex Reveals an Allosteric Mechanism of Kinase Activation.
Science, 326, 2009
2YDS
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BU of 2yds by Molmil
CpOGA D298N in complex with TAB1-derived O-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, O-GLCNACASE NAGJ, ...
Authors:Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F.
Deposit date:2011-03-24
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
2Y8U
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BU of 2y8u by Molmil
A. nidulans chitin deacetylase
Descriptor: CHITIN DEACETYLASE, CHLORIDE ION, COBALT (II) ION, ...
Authors:Penman, G, Gay, L.M, van Aalten, D.M.F.
Deposit date:2011-02-10
Release date:2012-02-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure and function of a broad-specificity chitin deacetylase from Aspergillus nidulans FGSC A4.
Sci Rep, 7, 2017
1O7S
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BU of 1o7s by Molmil
High resolution structure of Siglec-7
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, ...
Authors:Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
Deposit date:2002-11-12
Release date:2003-03-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High Resolution Structures of Siglec-7 - Insights Into Ligand Specificity in the Siglec Family
J.Biol.Chem., 278, 2003
2IW0
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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
2JLB
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BU of 2jlb by Molmil
Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue
Descriptor: CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-09-07
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
2BEM
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BU of 2bem by Molmil
Crystal structure of the Serratia marcescens chitin-binding protein CBP21
Descriptor: 1,2-ETHANEDIOL, CBP21, SODIUM ION, ...
Authors:Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
Deposit date:2004-11-26
Release date:2004-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2BEN
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BU of 2ben by Molmil
Crystal structure of the Serratia marcescens chitin-binding protein CBP21 Y54A mutant.
Descriptor: CBP21
Authors:Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
Deposit date:2004-11-26
Release date:2004-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2C07
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BU of 2c07 by Molmil
Oxoacyl-ACP reductase of Plasmodium falciparum
Descriptor: 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION
Authors:Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F.
Deposit date:2005-08-26
Release date:2005-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
2CH9
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BU of 2ch9 by Molmil
Crystal structure of dimeric human cystatin F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2006-03-13
Release date:2006-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
5NPR
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BU of 5npr by Molmil
The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor
Descriptor: POTASSIUM ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate, ...
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-04-18
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018

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