4TX6
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![BU of 4tx6 by Molmil](/molmil-images/mine/4tx6) | AfChiA1 in complex with compound 1 | 分子名称: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | 著者 | van Aalten, D.M.F. | 登録日 | 2014-07-02 | 公開日 | 2014-08-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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6RHE
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![BU of 6rhe by Molmil](/molmil-images/mine/6rhe) | CpOGA D298N in complex with hOGA-derived S-GlcNAc peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ALA-HIS-CYS-GLY-NH2, CADMIUM ION, ... | 著者 | Van Aalten, D, Bartual, S.G, Gorelik, A. | 登録日 | 2019-04-19 | 公開日 | 2019-12-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation. Nat.Struct.Mol.Biol., 26, 2019
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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 | 分子名称: | COENZYME A, FATTY ACID METABOLISM REGULATOR PROTEIN, MYRISTIC ACID | 著者 | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J. | 登録日 | 2001-03-09 | 公開日 | 2001-03-09 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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 | 分子名称: | 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, ... | 著者 | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J. | 登録日 | 2001-03-19 | 公開日 | 2001-04-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | 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 | 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
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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 | 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
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1E2X
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![BU of 1e2x by Molmil](/molmil-images/mine/1e2x) | FadR, fatty acid responsive transcription factor from E. coli | 分子名称: | FATTY ACID METABOLISM REGULATOR PROTEIN, SULFATE ION | 著者 | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J, Wierenga, R.K. | 登録日 | 2000-05-30 | 公開日 | 2000-12-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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1HBK
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![BU of 1hbk by Molmil](/molmil-images/mine/1hbk) | 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
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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 | 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
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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 | 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 | 2002-01-08 | 公開日 | 2002-02-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants J.Biol.Chem., 227, 2002
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1F57
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![BU of 1f57 by Molmil](/molmil-images/mine/1f57) | |
1E15
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![BU of 1e15 by Molmil](/molmil-images/mine/1e15) | Chitinase B from Serratia Marcescens | 分子名称: | CHITINASE B | 著者 | Van Aalten, D.M.F, Synstad, B, Brurberg, M.B, Hough, E, Riise, B.W, Eijsink, V.G.H, Wierenga, R.K. | 登録日 | 2000-04-18 | 公開日 | 2000-08-18 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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 | 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 | 2002-01-09 | 公開日 | 2002-02-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | 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 | 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 | 2002-01-09 | 公開日 | 2002-02-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants J.Biol.Chem., 227, 2002
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2J4O
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![BU of 2j4o by Molmil](/molmil-images/mine/2j4o) | Structure of TAB1 | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7-INTERACTING PROTEIN 1 | 著者 | van Aalten, D. | 登録日 | 2006-09-01 | 公開日 | 2006-09-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Tak1-Binding Protein 1 is a Pseudophosphatase. Biochem.J., 399, 2006
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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 | 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
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1W1A
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![BU of 1w1a by Molmil](/molmil-images/mine/1w1a) | Structure of Bacillus subtilis PdaA in complex with NAG, a family 4 Carbohydrate esterase. | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CADMIUM ION, GLYCEROL, ... | 著者 | Blair, D.E, van Aalten, D.M.F. | 登録日 | 2004-06-18 | 公開日 | 2005-01-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine. FEBS Lett., 570, 2004
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3CHE
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![BU of 3che by Molmil](/molmil-images/mine/3che) | |
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 | 分子名称: | 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 | 著者 | Rafie, K, van Aalten, D. | 登録日 | 2017-04-18 | 公開日 | 2018-05-16 | 最終更新日 | 2023-03-15 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors. Bioconjug. Chem., 29, 2018
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4TXE
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![BU of 4txe by Molmil](/molmil-images/mine/4txe) | ScCTS1 in complex with compound 5 | 分子名称: | (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase | 著者 | Schuettelkopf, A.W, van Aalten, D.M.F. | 登録日 | 2014-07-03 | 公開日 | 2014-08-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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7U34
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![BU of 7u34 by Molmil](/molmil-images/mine/7u34) | 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
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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) | 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
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6Q4M
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![BU of 6q4m by Molmil](/molmil-images/mine/6q4m) | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation | 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, PHOSPHATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | 著者 | Gundogdu, M, van Aalten, D.M.F. | 登録日 | 2018-12-06 | 公開日 | 2019-12-25 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation To Be Published
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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) | 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
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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) | 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
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