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6Q4M
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BU of 6q4m by Molmil
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
6Z2F
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BU of 6z2f by Molmil
Crystal structure of human AGX1 mutant complexed with UDPGLCNAC
分子名称: UDP-N-acetylhexosamine pyrophosphorylase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, X, van Aalten, D.M.F.
登録日2020-05-15
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human AGX1 mutant complexed with UDPGLCNAC
To Be Published
5ZVP
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BU of 5zvp by Molmil
Aspergillus fumigatus Rho1 F25N
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ...
著者Wei, W.F, Van Aalten, D.M.F.
登録日2018-05-12
公開日2019-05-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Aspergillus fumigateurs Rho1 F25N
To Be Published
4V11
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BU of 4v11 by Molmil
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
1W1D
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BU of 1w1d by Molmil
Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to Inositol (1,3,4,5)-tetrakisphosphate
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, GOLD ION, ...
著者Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-06-21
公開日2004-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
4TXE
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BU of 4txe by Molmil
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
4TX6
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BU of 4tx6 by Molmil
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
3ZF8
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BU of 3zf8 by Molmil
Crystal structure of Saccharomyces cerevisiae Mnn9 in complex with GDP and Mn.
分子名称: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, MANNAN POLYMERASE COMPLEXES SUBUNIT MNN9
著者Striebeck, A, Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2012-12-10
公開日2013-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Yeast Mnn9 is Both a Priming Glycosyltransferase and an Allosteric Activator of Mannan Biosynthesis.
Open Biol., 3, 2013
3ZJ0
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BU of 3zj0 by Molmil
The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase
分子名称: 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ...
著者Rao, F.V, Schuettelkopf, A.W, Dorfmueller, H.C, Ferenbach, A.T, Navratilova, I, van Aalten, D.M.F.
登録日2013-01-15
公開日2013-10-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain.
Open Biol., 3, 2013
1OGB
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Chitinase b from Serratia marcescens mutant D142N
分子名称: CHITINASE B, GLYCEROL, SULFATE ION
著者Vaaje-Kolstad, G, Houston, D.R, Rao, F.V, Peter, M.G, Synstad, B, van Aalten, D.M.F, Eijsink, V.G.H.
登録日2003-04-29
公開日2004-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the D142N Mutant of the Family 18 Chitinase Chib from Serratia Marcescens and its Complex with Allosamidin
Biochim.Biophys.Acta, 1696, 2004
1OGG
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BU of 1ogg by Molmil
chitinase b from serratia marcescens mutant d142n in complex with inhibitor allosamidin
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ...
著者Vaaje-Kolstad, G, Houston, D.R, Rao, F.V, Peter, M.G, Synstad, B, van Aalten, D.M.F, Eijsink, V.G.H.
登録日2003-04-30
公開日2004-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of the D142N Mutant of the Family 18 Chitinase Chib from Serratia Marcescens and its Complex with Allosamidin
Biochim.Biophys.Acta, 1696, 2004
6EOU
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O-GlcNAc transferase TPR domain with the intellectual disability associated mutation L254F
分子名称: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Gundogdu, M, van Aalten, D.M.F.
登録日2017-10-10
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The O-GlcNAc Transferase Intellectual Disability Mutation L254F Distorts the TPR Helix.
Cell Chem Biol, 25, 2018
1W1H
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BU of 1w1h by Molmil
Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION
著者Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-06-21
公開日2004-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
1UR8
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BU of 1ur8 by Molmil
Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
著者Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2003-10-27
公開日2004-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
1UR9
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BU of 1ur9 by Molmil
Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
著者Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2003-10-27
公開日2004-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
6IBO
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BU of 6ibo by Molmil
Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability
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, ALA-VAL-SER-ARG-ALA, PHOSPHATE ION, ...
著者Gundogdu, M, van Aalten, D.M.F.
登録日2018-11-30
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability.
Proc.Natl.Acad.Sci.USA, 116, 2019
7OYL
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Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate
分子名称: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F.
登録日2021-06-24
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
7P5O
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Crystal structure of Aspergillus fumigatus phosphoglucomutase in complex with the reaction intermediate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, Phosphoglucomutase
著者Raimi, O.G, Yan, K, van Aalten, D.M.F.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
6JIK
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Aspergillus fumigatus Rho1 GsGTP
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1
著者Bartual, S.G, Van Aalten, D.M.F.
登録日2019-02-22
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Aspergillus fumigatus Rho1 gSGTP complex
To Be Published
7PIZ
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The structure of phosphoglucomutase from Candida albicans
分子名称: Phosphoglucomutase, SULFATE ION
著者Yan, K, van Aalten, D.M.F.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PJC
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The structure of Candida albicans phosphoglucomutase with isothiazolone modification on Cys359
分子名称: GLYCEROL, Phosphoglucomutase, SULFATE ION, ...
著者Yan, K, van Aalten, D.M.F.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PPR
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The structure of UDP-glucose pyrophosphorylase from Aspergillus fumigatus
分子名称: CHLORIDE ION, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
著者Morton, S, Raimi, O.G, Yan, K, van Aalten, D.M.F.
登録日2021-09-14
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Genetic and structural validation of UDP-glucose pyrophosphorylase as a novel antifungal target against Aspergillus fumigatus
To Be Published
6IBU
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Apo Crh5 transglycosylase
分子名称: GLYCEROL, Probable glycosidase crf1
著者Bartual, S.G, Fang, W, van Aalten, D.M.F.
登録日2018-11-30
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
6IBW
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Crh5 transglycosylase in complex with NAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, Probable glycosidase crf1
著者Fang, W, Bartual, S.G, van Aalten, D.M.F.
登録日2018-12-01
公開日2019-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
6I5X
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Crystal structure of Aspergillus fumigatus phosphomannomutase
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Aspergillus fumigatus phosphomannomutase
To Be Published

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