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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
2G5R
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Crystal structure of Siglec-7 in complex with methyl-9-(aminooxalyl-amino)-9-deoxyNeu5Ac (oxamido-Neu5Ac)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Sialic acid-binding Ig-like lectin 7, ...
著者Attrill, H, Crocker, P.R, van Aalten, D.M.
登録日2006-02-23
公開日2006-06-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design.
Biochem.J., 397, 2006
2CB8
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High resolution crystal structure of liganded human L-ACBP
分子名称: 2-METHOXYETHANOL, ACYL-COA-BINDING PROTEIN, SULFATE ION, ...
著者Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K.
登録日2006-01-03
公開日2006-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Crystal Structures of Unliganded and Liganded Human Liver Acbp Reveal a New Mode of Binding for the Acyl-Coa Ligand.
Proteins: Struct., Funct., Bioinf., 66, 2007
2FJ9
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BU of 2fj9 by Molmil
High resolution crystal structure of the unliganded human ACBP
分子名称: Acyl-CoA-binding protein, CHLORIDE ION, LEAD (II) ION, ...
著者Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K.
登録日2006-01-02
公開日2006-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High resolution crystal structures of unliganded and liganded human liver ACBP reveal a new mode of binding for the acyl-CoA ligand.
Proteins, 66, 2006
6EOU
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BU of 6eou by Molmil
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
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
1UR8
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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
6I5X
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BU of 6i5x by Molmil
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
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
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
5NPR
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The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor
分子名称: POTASSIUM ION, 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.M.F.
登録日2017-04-18
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018
1GOI
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BU of 1goi by Molmil
Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution
分子名称: CHITINASE B, GLYCEROL, SULFATE ION
著者Kolstad, G, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2001-10-21
公開日2001-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the D140N Mutant of Chitinase B from Serratia Marcescens at 1.45 A Resolution.
Acta Crystallogr.,Sect.D, 58, 2002
2Y8V
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Structure of chitinase, ChiC, from Aspergillus fumigatus.
分子名称: CLASS III CHITINASE, PUTATIVE, SODIUM ION
著者Rush, C.L, Schuettelkopf, A.W, Gay, L.M, van Aalten, D.M.F.
登録日2011-02-10
公開日2012-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of Chitinase, Chic, from Aspergillus Fumigatus.
To be Published
2YDQ
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BU of 2ydq by Molmil
CpOGA D298N in complex with hOGA-derived O-GlcNAc peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BIFUNCTIONAL PROTEIN NCOAT, CADMIUM ION, ...
著者Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F.
登録日2011-03-24
公開日2012-03-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
2YDR
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BU of 2ydr by Molmil
CpOGA D298N in complex with p53-derived O-GlcNAc peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ...
著者Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F.
登録日2011-03-24
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
2Y8U
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A. nidulans chitin deacetylase
分子名称: CHITIN DEACETYLASE, CHLORIDE ION, COBALT (II) ION, ...
著者Penman, G, Gay, L.M, van Aalten, D.M.F.
登録日2011-02-10
公開日2012-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure and function of a broad-specificity chitin deacetylase from Aspergillus nidulans FGSC A4.
Sci Rep, 7, 2017
2WTK
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Structure of the heterotrimeric LKB1-STRADalpha-MO25alpha complex
分子名称: CALCIUM-BINDING PROTEIN 39, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE 11, ...
著者Zeqiraj, E, van Aalten, D.M.F.
登録日2009-09-16
公開日2009-12-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the Lkb1-Strad-Mo25 Complex Reveals an Allosteric Mechanism of Kinase Activation.
Science, 326, 2009
2X0Y
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Screening-based discovery of drug-like O-GlcNAcase inhibitor scaffolds
分子名称: 7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, O-GLCNACASE NAGJ
著者Dorfmueller, H.C, van Aalten, D.M.F.
登録日2009-12-18
公開日2010-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Screening-Based Discovery of Drug-Like O-Glcnacase Inhibitor Scaffolds
FEBS Lett., 584, 2010
2XSA
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OgOGA apostructure
分子名称: CHLORIDE ION, HYALURONOGLUCOSAMINIDASE
著者Schuttelkopf, A.W, van Aalten, D.M.F.
登録日2010-09-27
公開日2011-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
2XUC
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Natural product-guided discovery of a fungal chitinase inhibitor
分子名称: 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ...
著者Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F.
登録日2010-10-18
公開日2010-10-27
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2XTK
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ChiA1 from Aspergillus fumigatus in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CLASS III CHITINASE CHIA1, PHOSPHATE ION
著者Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2010-10-11
公開日2011-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acetazolamide-Based Fungal Chitinase Inhibitors.
Bioorg.Med.Chem., 18, 2010
2XVN
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A. fumigatus chitinase A1 phenyl-methylguanylurea complex
分子名称: 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION
著者Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F.
登録日2010-10-26
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010

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