2C07
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![BU of 2c07 by Molmil](/molmil-images/mine/2c07) | 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
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2VKI
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![BU of 2vki by Molmil](/molmil-images/mine/2vki) | Structure of the PDK1 PH domain K465E mutant | Descriptor: | 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION | Authors: | Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2007-12-19 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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2CH9
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![BU of 2ch9 by Molmil](/molmil-images/mine/2ch9) | 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
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2VEZ
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![BU of 2vez by Molmil](/molmil-images/mine/2vez) | AfGNA1 crystal structure complexed with Acetyl-CoA and Glucose-6P gives new insights into catalysis | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, PHOSPHATE ION, ... | Authors: | Hurtado-Guerrero, R, Raimi, O, Shepherd, S, van Aalten, D.M.F. | Deposit date: | 2007-10-27 | Release date: | 2009-03-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Glucose-6-Phosphate as a Probe for the Glucosamine- 6-Phosphate N-Acetyltransferase Michaelis Complex. FEBS Lett., 581, 2007
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2UY2
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![BU of 2uy2 by Molmil](/molmil-images/mine/2uy2) | ScCTS1_apo crystal structure | Descriptor: | ENDOCHITINASE, GLYCEROL | Authors: | Hurtado-Guerrero, R, Van Aalten, D.M.F. | Deposit date: | 2007-04-02 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors. Chem.Biol., 14, 2007
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2UY4
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![BU of 2uy4 by Molmil](/molmil-images/mine/2uy4) | ScCTS1_acetazolamide crystal structure | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ENDOCHITINASE | Authors: | Hurtado-Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2007-04-02 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors. Chem.Biol., 14, 2007
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2UVM
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![BU of 2uvm by Molmil](/molmil-images/mine/2uvm) | Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate | Descriptor: | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION | Authors: | Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L. | Deposit date: | 2007-03-12 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha. Acs Chem.Biol., 2, 2007
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2UY3
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2V3S
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![BU of 2v3s by Molmil](/molmil-images/mine/2v3s) | Structural insights into the recognition of substrates and activators by the OSR1 kinase | Descriptor: | ACETATE ION, SERINE/THREONINE-PROTEIN KINASE OSR1, SERINE/THREONINE-PROTEIN KINASE WNK4 | Authors: | Villa, F, Goebel, J, Rafiqi, F.H, Deak, M, Thastrup, J, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2007-06-21 | Release date: | 2007-07-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights Into the Recognition of Substrates and Activators by the Osr1 Kinase Embo Rep., 8, 2007
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2VXK
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![BU of 2vxk by Molmil](/molmil-images/mine/2vxk) | Structural comparison between Aspergillus fumigatus and human GNA1 | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, GLUCOSAMINE 6-PHOSPHATE ACETYLTRANSFERASE, ... | Authors: | 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. | Deposit date: | 2008-07-05 | Release date: | 2008-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Kinetic Differences between Human and Aspergillus Fumigatus D-Glucosamine-6- Phosphate N-Acetyltransferase. Biochem.J., 415, 2008
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2W3Z
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![BU of 2w3z by Molmil](/molmil-images/mine/2w3z) | Structure of a Streptococcus mutans CE4 esterase | Descriptor: | PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION | Authors: | Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W. | Deposit date: | 2008-11-17 | Release date: | 2008-12-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin. J.Bacteriol., 191, 2009
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1H0I
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![BU of 1h0i by Molmil](/molmil-images/mine/1h0i) | Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium | Descriptor: | ARGIFIN, CHITINASE B, GLYCEROL, ... | Authors: | Houston, D.R, Shiomi, K, Arai, N, Omura, S, Peter, M.G, Turberg, A, Synstad, B, Eijsink, V.G.H, Aalten, D.M.F. | Deposit date: | 2002-06-19 | Release date: | 2002-06-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High Resolution Inhibited Complexes of a Chitinase with Natural Product Cyclopentapeptides - Peptide Mimicry of a Carbohydrate Substrate Proc.Natl.Acad.Sci.USA, 99, 2002
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1H0G
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![BU of 1h0g by Molmil](/molmil-images/mine/1h0g) | Complex of a chitinase with the natural product cyclopentapeptide argadin from Clonostachys | Descriptor: | Argadin, CHITINASE B, GLYCEROL | Authors: | Houston, D, Shiomi, K, Arai, N, Omura, S, Peter, M.G, Turberg, A, Synstad, B, Eijsink, V.G.H, Aalten, D.M.F. | Deposit date: | 2002-06-19 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High Resolution Inhibited Complexes of a Chitinase with Natural Product Cyclopentapeptides - Peptide Mimicry of a Carbohydrate Substrate Proc.Natl.Acad.Sci.USA, 99, 2002
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5OXD
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![BU of 5oxd by Molmil](/molmil-images/mine/5oxd) | |
5NPR
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![BU of 5npr by Molmil](/molmil-images/mine/5npr) | 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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1W1D
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![BU of 1w1d by Molmil](/molmil-images/mine/1w1d) | Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to Inositol (1,3,4,5)-tetrakisphosphate | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, GOLD ION, ... | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-06-21 | Release date: | 2004-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates Embo J., 23, 2004
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2VWI
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![BU of 2vwi by Molmil](/molmil-images/mine/2vwi) | Structure of the OSR1 kinase, a hypertension drug target | Descriptor: | GOLD ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Villa, F, Deak, M, Alessi, D.R, vanAalten, D.M.F. | Deposit date: | 2008-06-25 | Release date: | 2008-07-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of the Osr1 Kinase, a Hypertension Drug Target. Proteins, 73, 2008
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4BJU
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![BU of 4bju by Molmil](/molmil-images/mine/4bju) | Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target | Descriptor: | MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE | Authors: | Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2013-04-19 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target. Biosci.Rep, 33, 2013
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4CAW
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![BU of 4caw by Molmil](/molmil-images/mine/4caw) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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4BOK
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![BU of 4bok by Molmil](/molmil-images/mine/4bok) | |
4BOJ
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4CAV
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![BU of 4cav by Molmil](/molmil-images/mine/4cav) | 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
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4AG7
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![BU of 4ag7 by Molmil](/molmil-images/mine/4ag7) | 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
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4AY6
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![BU of 4ay6 by Molmil](/molmil-images/mine/4ay6) | 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
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4CAX
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![BU of 4cax by Molmil](/molmil-images/mine/4cax) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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