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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
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
分子名称: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
著者Rafie, K, van Aalten, D.M.F.
登録日2017-09-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
6Q4M
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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
5ZVP
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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
7P5O
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BU of 7p5o by Molmil
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
7OYL
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BU of 7oyl by Molmil
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
7PIZ
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BU of 7piz by Molmil
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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BU of 7pjc by Molmil
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2024-01-31
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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BU of 7ppr by Molmil
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
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
4TXE
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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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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
1OGB
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BU of 1ogb by Molmil
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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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
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
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
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
1E2X
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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
1E6N
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Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer
分子名称: 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, ...
著者Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2000-08-21
公開日2001-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1E6R
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Chitinase B from Serratia marcescens wildtype 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Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2000-08-22
公開日2001-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1E6Z
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CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE
分子名称: 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, ...
著者Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2000-08-23
公開日2001-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1E6P
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Chitinase B from Serratia marcescens inactive mutant E144Q
分子名称: CHITINASE B, GLYCEROL, SULFATE ION
著者Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2000-08-22
公開日2001-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1WCH
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Crystal structure of PTPL1 human tyrosine phosphatase mutated in colorectal cancer - evidence for a second phosphotyrosine substrate recognition pocket
分子名称: PHOSPHATE ION, PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 13
著者Villa, F, Deak, M, Bloomberg, G.B, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-11-16
公開日2004-12-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Ptpl1/Fap-1 Human Tyrosine Phosphatase Mutated in Colorectal Cancer: Eveidence for a Second Phosphotyrosine Substrate Recognition Pocket
J.Biol.Chem., 280, 2005

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