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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2023-12-13
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
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
2VXK
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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
2VSY
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BU of 2vsy by Molmil
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
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
4EZA
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BU of 4eza by Molmil
Crystal structure of the atypical phosphoinositide (aPI) binding domain of IQGAP2
分子名称: Ras GTPase-activating-like protein IQGAP2
著者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)
登録日2012-05-02
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献IQGAP Proteins Reveal an Atypical Phosphoinositide (aPI) Binding Domain with a Pseudo C2 Domain Fold.
J.Biol.Chem., 287, 2012
1KOU
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Crystal Structure of the Photoactive Yellow Protein Reconstituted with Caffeic Acid at 1.16 A Resolution
分子名称: CAFFEIC ACID, N-BUTANE, PHOTOACTIVE YELLOW PROTEIN
著者van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L.
登録日2001-12-22
公開日2002-04-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure of the photoactive yellow protein reconstituted with caffeic acid at 1.16 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
1CW9
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DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE
分子名称: 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION
著者van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L.
登録日1999-08-26
公開日1999-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A structural snapshot of base-pair opening in DNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
1D7E
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BU of 1d7e by Molmil
CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L.
登録日1999-10-17
公開日2000-03-31
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility.
Protein Sci., 9, 2000
1HBK
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Acyl-CoA binding protein from Plasmodium falciparum
分子名称: ACYL-COA BINDING PROTEIN, COENZYME A, MYRISTIC ACID, ...
著者van Aalten, D.M.F.
登録日2001-04-16
公開日2001-05-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein.
J. Mol. Biol., 309, 2001
1HB6
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Structure of bovine Acyl-CoA binding protein in orthorhombic crystal form
分子名称: ACYL-COA BINDING PROTEIN, CADMIUM ION
著者Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A.
登録日2001-04-12
公開日2002-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein
J.Mol.Biol., 309, 2001
1HB8
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Structure of bovine Acyl-CoA binding protein in tetragonal crystal form
分子名称: ACYL-COA BINDING PROTEIN, SULFATE ION
著者Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A.
登録日2001-04-12
公開日2002-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein
J.Mol.Biol., 309, 2001
7U34
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BU of 7u34 by Molmil
The structure of phosphoglucose isomerase from Aspergillus fumigatus
分子名称: CHLORIDE ION, CITRATE ANION, GLYCEROL, ...
著者Yan, K, Kowalski, B, Fang, W, van Aalten, D.
登録日2022-02-25
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
5FIH
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BU of 5fih by Molmil
SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE
分子名称: 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
著者Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C.
登録日2015-09-25
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
3CHE
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BU of 3che by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide
分子名称: Chitinase, Peptide inhibitor, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
4WPG
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BU of 4wpg by Molmil
Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ...
著者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.
登録日2014-10-18
公開日2015-09-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献GacA is essential for Group A Streptococcus and defines a new class of monomeric dTDP-4-dehydrorhamnose reductases (RmlD).
Mol.Microbiol., 98, 2015
4XI9
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Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2)
分子名称: (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
著者Schimpl, M, van Aalten, D.M.F.
登録日2015-01-06
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
4XIF
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Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7)
分子名称: (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, ...
著者Schimpl, M, van Aalten, D.M.F.
登録日2015-01-06
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
6G9V
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Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+
分子名称: MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ...
著者Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D.
登録日2018-04-11
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
6G9W
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Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP
分子名称: UDP-N-acetylglucosamine pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE
著者Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D.
登録日2018-04-11
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
3GNI
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Structure of STRAD and MO25
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Protein Mo25, ...
著者Zeqiraj, E, Goldie, S, Alessi, D.R, van Aalten, D.M.F.
登録日2009-03-17
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor
Plos Biol., 7, 2009
5LVV
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Human OGT in complex with UDP and fused substrate peptide (Tab1)
分子名称: 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
著者Raimi, O.
登録日2016-09-14
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
4V11
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Structure of Synaptotagmin-1 with SV2A peptide phosphorylated at Thr84
分子名称: CALCIUM ION, GLYCEROL, SYNAPTIC VESICLE GLYCOPROTEIN 2A, ...
著者Zhang, N, Gordon, S.L, Fritsch, M.J, Esoof, N, Campbell, D, Gourlay, R, Velupillai, S, Macartney, T, Peggie, M, vanAalten, D.M.F, Cousin, M.A, Alessi, D.R.
登録日2014-09-22
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1.
J.Neurosci., 35, 2015
4ZXL
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CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ...
著者Selvan, N, van Aalten, D.M.F.
登録日2015-05-20
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development.
Biochem.J., 470, 2015
5A01
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O-GlcNAc transferase from Drososphila melanogaster
分子名称: (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
著者Mariappa, D, Zheng, X, Schimpl, M, Raimi, O, Rafie, K, Ferenbach, A.T, Mueller, H.J, van Aalten, D.M.F.
登録日2015-04-15
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Dual functionality of O-GlcNAc transferase is required for Drosophila development.
Open Biol, 5, 2015

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