1H9G
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![BU of 1h9g by Molmil](/molmil-images/mine/1h9g) | FadR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI, in complex with myristoyl-CoA | Descriptor: | COENZYME A, FATTY ACID METABOLISM REGULATOR PROTEIN, MYRISTIC ACID | Authors: | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J. | Deposit date: | 2001-03-09 | Release date: | 2001-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr Embo J., 20, 2001
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1H9T
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![BU of 1h9t by Molmil](/molmil-images/mine/1h9t) | FADR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI IN COMPLEX WITH FADB OPERATOR | Descriptor: | 5'-D(*CP*AP*TP*CP*TP*GP*GP*TP*AP*CP*GP*AP* CP*CP*AP*GP*AP*TP*C)-3', 5'-D(*GP*AP*TP*CP*TP*GP*GP*TP*CP*GP*TP*AP* CP*CP*AP*GP*AP*TP*G)-3', CHLORIDE ION, ... | Authors: | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J. | Deposit date: | 2001-03-19 | Release date: | 2001-04-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr Embo J., 20, 2001
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1KOU
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![BU of 1kou by Molmil](/molmil-images/mine/1kou) | Crystal Structure of the Photoactive Yellow Protein Reconstituted with Caffeic Acid at 1.16 A Resolution | Descriptor: | CAFFEIC ACID, N-BUTANE, PHOTOACTIVE YELLOW PROTEIN | Authors: | van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | Deposit date: | 2001-12-22 | Release date: | 2002-04-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure of the photoactive yellow protein reconstituted with caffeic acid at 1.16 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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1CW9
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![BU of 1cw9 by Molmil](/molmil-images/mine/1cw9) | DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE | Descriptor: | 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION | Authors: | van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L. | Deposit date: | 1999-08-26 | Release date: | 1999-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A structural snapshot of base-pair opening in DNA. Proc.Natl.Acad.Sci.USA, 96, 1999
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1D7E
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![BU of 1d7e by Molmil](/molmil-images/mine/1d7e) | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | Deposit date: | 1999-10-17 | Release date: | 2000-03-31 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility. Protein Sci., 9, 2000
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1HBK
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![BU of 1hbk by Molmil](/molmil-images/mine/1hbk) | Acyl-CoA binding protein from Plasmodium falciparum | Descriptor: | ACYL-COA BINDING PROTEIN, COENZYME A, MYRISTIC ACID, ... | Authors: | van Aalten, D.M.F. | Deposit date: | 2001-04-16 | Release date: | 2001-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein. J. Mol. Biol., 309, 2001
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1F57
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![BU of 1f57 by Molmil](/molmil-images/mine/1f57) | |
1E2X
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![BU of 1e2x by Molmil](/molmil-images/mine/1e2x) | FadR, fatty acid responsive transcription factor from E. coli | Descriptor: | FATTY ACID METABOLISM REGULATOR PROTEIN, SULFATE ION | Authors: | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J, Wierenga, R.K. | Deposit date: | 2000-05-30 | Release date: | 2000-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Fadr, a Fatty Acid-Responsive Transcription Factor with a Novel Acyl Coenzyme A-Binding Fold Embo J., 19, 2000
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1E15
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![BU of 1e15 by Molmil](/molmil-images/mine/1e15) | Chitinase B from Serratia Marcescens | Descriptor: | CHITINASE B | Authors: | Van Aalten, D.M.F, Synstad, B, Brurberg, M.B, Hough, E, Riise, B.W, Eijsink, V.G.H, Wierenga, R.K. | Deposit date: | 2000-04-18 | Release date: | 2000-08-18 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Two-Domain Chitotriosidase from Serratia Marcescens at 1.9 Angstrom Resoltuion Proc.Natl.Acad.Sci.USA, 97, 2000
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1GSW
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![BU of 1gsw by Molmil](/molmil-images/mine/1gsw) | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G51S MUTANT | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | Deposit date: | 2002-01-09 | Release date: | 2002-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants J.Biol.Chem., 227, 2002
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1GSX
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![BU of 1gsx by Molmil](/molmil-images/mine/1gsx) | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G47S/G51S MUTANT | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | Deposit date: | 2002-01-09 | Release date: | 2002-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants J.Biol.Chem., 227, 2002
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1GSV
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![BU of 1gsv by Molmil](/molmil-images/mine/1gsv) | Crystal structure of the P65 crystal form of photoactive yellow protein G47S mutant | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | Deposit date: | 2002-01-08 | Release date: | 2002-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants J.Biol.Chem., 227, 2002
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4EZA
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![BU of 4eza by Molmil](/molmil-images/mine/4eza) | Crystal structure of the atypical phosphoinositide (aPI) binding domain of IQGAP2 | Descriptor: | Ras GTPase-activating-like protein IQGAP2 | Authors: | Van Aalten, D.M.F, Dixon, M.J, Gray, A, Schenning, M, Agacan, M, Leslie, N.R, Downes, C.P, Batty, I.H, Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-02 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | IQGAP Proteins Reveal an Atypical Phosphoinositide (aPI) Binding Domain with a Pseudo C2 Domain Fold. J.Biol.Chem., 287, 2012
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4TX6
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![BU of 4tx6 by Molmil](/molmil-images/mine/4tx6) | AfChiA1 in complex with compound 1 | Descriptor: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | Authors: | van Aalten, D.M.F. | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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1E6N
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![BU of 1e6n by Molmil](/molmil-images/mine/1e6n) | Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer | Descriptor: | 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, CHITINASE B, GLYCEROL, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-21 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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1E6R
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![BU of 1e6r by Molmil](/molmil-images/mine/1e6r) | Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-22 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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1E6Z
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![BU of 1e6z by Molmil](/molmil-images/mine/1e6z) | CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE | Descriptor: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-23 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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1E6P
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![BU of 1e6p by Molmil](/molmil-images/mine/1e6p) | Chitinase B from Serratia marcescens inactive mutant E144Q | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-22 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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4WPG
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![BU of 4wpg by Molmil](/molmil-images/mine/4wpg) | Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ... | Authors: | van der Beek, S.L, Le Breton, Y, Ferenbach, A.T, van Aalten, D.M.F, Navratilova, I, McIver, K, van Sorge, N.M, Dorfmueller, H.C. | Deposit date: | 2014-10-18 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | GacA is essential for Group A Streptococcus and defines a new class of monomeric dTDP-4-dehydrorhamnose reductases (RmlD). Mol.Microbiol., 98, 2015
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4ZXL
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![BU of 4zxl by Molmil](/molmil-images/mine/4zxl) | CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ... | Authors: | Selvan, N, van Aalten, D.M.F. | Deposit date: | 2015-05-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development. Biochem.J., 470, 2015
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5FIH
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![BU of 5fih by Molmil](/molmil-images/mine/5fih) | SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE | Descriptor: | 1,3-BETA-GLUCANOSYLTRANSFERASE, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-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)-alpha-D-glucopyranose | Authors: | Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C. | Deposit date: | 2015-09-25 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations. J. Am. Chem. Soc., 138, 2016
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4XI9
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![BU of 4xi9 by Molmil](/molmil-images/mine/4xi9) | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) | 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, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Schimpl, M, van Aalten, D.M.F. | Deposit date: | 2015-01-06 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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4XIF
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![BU of 4xif by Molmil](/molmil-images/mine/4xif) | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) | 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, Keratin, type II cytoskeletal 7, ... | Authors: | Schimpl, M, van Aalten, D.M.F. | Deposit date: | 2015-01-06 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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5A0F
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![BU of 5a0f by Molmil](/molmil-images/mine/5a0f) | Crystal structure of Yersinia Afp18-modified RhoA | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | Deposit date: | 2015-04-20 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos. Nat Commun, 6, 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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