5NPS
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![BU of 5nps by Molmil](/molmil-images/mine/5nps) | The human O-GlcNAc transferase in complex with a bisubstrate inhibitor | Descriptor: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, 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. | Deposit date: | 2017-04-18 | Release date: | 2018-05-16 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors. Bioconjug. Chem., 29, 2018
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5LWV
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![BU of 5lwv by Molmil](/molmil-images/mine/5lwv) | Human OGT in complex with UDP and fused substrate peptide (HCF1) | Descriptor: | GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ... | Authors: | Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D. | Deposit date: | 2016-09-19 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats. Open Biol, 7, 2017
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4BQH
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![BU of 4bqh by Molmil](/molmil-images/mine/4bqh) | Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor | Descriptor: | (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | Authors: | Fang, W, Raimi, O.G, vanAalten, D.M.F. | Deposit date: | 2013-05-30 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei. Acs Chem.Biol., 8, 2013
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5C1D
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![BU of 5c1d by Molmil](/molmil-images/mine/5c1d) | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L) | 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, PHOSPHATE ION, Retinoblastoma-like protein 2, ... | Authors: | Schimpl, M, Rafie, K, van Aalten, D.M.F. | Deposit date: | 2015-06-13 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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5A01
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![BU of 5a01 by Molmil](/molmil-images/mine/5a01) | O-GlcNAc transferase from Drososphila melanogaster | 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, O-GLYCOSYLTRANSFERASE | Authors: | Mariappa, D, Zheng, X, Schimpl, M, Raimi, O, Rafie, K, Ferenbach, A.T, Mueller, H.J, van Aalten, D.M.F. | Deposit date: | 2015-04-15 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Dual functionality of O-GlcNAc transferase is required for Drosophila development. Open Biol, 5, 2015
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5DIY
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![BU of 5diy by Molmil](/molmil-images/mine/5diy) | Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | Deposit date: | 2015-09-01 | Release date: | 2015-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum. J.Biol.Chem., 290, 2015
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5BNW
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![BU of 5bnw by Molmil](/molmil-images/mine/5bnw) | 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
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5DJS
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![BU of 5djs by Molmil](/molmil-images/mine/5djs) | Thermobaculum terrenum O-GlcNAc transferase mutant - K341M | Descriptor: | Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE | Authors: | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | Deposit date: | 2015-09-02 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum. J.Biol.Chem., 290, 2015
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1O6I
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![BU of 1o6i by Molmil](/molmil-images/mine/1o6i) | Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4. | Descriptor: | Chitinase, GLYCEROL, SULFATE ION, ... | Authors: | Houston, D.R, Eggleston, I, Synstad, B, Eijsink, V.G.H, van Aalten, D.M.F. | Deposit date: | 2002-10-03 | Release date: | 2003-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate. Biochem. J., 368, 2002
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1K39
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![BU of 1k39 by Molmil](/molmil-images/mine/1k39) | The structure of yeast delta3-delta2-enoyl-COA isomerase complexed with octanoyl-COA | Descriptor: | OCTANOYL-COENZYME A, PHOSPHATE ION, d3,d2-enoyl CoA isomerase ECI1 | Authors: | Mursula, A.M, Geerlof, A, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2001-10-02 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: |
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1IKT
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![BU of 1ikt by Molmil](/molmil-images/mine/1ikt) | |
3GNI
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![BU of 3gni by Molmil](/molmil-images/mine/3gni) | Structure of STRAD and MO25 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Protein Mo25, ... | Authors: | Zeqiraj, E, Goldie, S, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2009-03-17 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor Plos Biol., 7, 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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3CHE
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![BU of 3che by Molmil](/molmil-images/mine/3che) | |
3CHC
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![BU of 3chc by Molmil](/molmil-images/mine/3chc) | |
3CH9
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![BU of 3ch9 by Molmil](/molmil-images/mine/3ch9) | |
6TDH
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![BU of 6tdh by Molmil](/molmil-images/mine/6tdh) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 1 | Descriptor: | 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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6TDF
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![BU of 6tdf by Molmil](/molmil-images/mine/6tdf) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | Descriptor: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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6TN3
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![BU of 6tn3 by Molmil](/molmil-images/mine/6tn3) | |
1O7V
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![BU of 1o7v by Molmil](/molmil-images/mine/1o7v) | High resolution structure of Siglec-7 | Descriptor: | SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F. | Deposit date: | 2002-11-14 | Release date: | 2003-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family. J.Biol.Chem., 278, 2003
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6TDG
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![BU of 6tdg by Molmil](/molmil-images/mine/6tdg) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2 | Descriptor: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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1UNP
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![BU of 1unp by Molmil](/molmil-images/mine/1unp) | Crystal structure of the pleckstrin homology domain of PKB alpha | Descriptor: | RAC-ALPHA SERINE/THREONINE KINASE | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2003-09-12 | Release date: | 2004-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem. J., 375, 2003
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5LVV
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![BU of 5lvv by Molmil](/molmil-images/mine/5lvv) | Human OGT in complex with UDP and fused substrate peptide (Tab1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | Authors: | Raimi, O. | Deposit date: | 2016-09-14 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats. Open Biol, 7, 2017
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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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