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7OYL
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BU of 7oyl by Molmil
Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F.
Deposit date:2021-06-24
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
7P5O
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BU of 7p5o by Molmil
Crystal structure of Aspergillus fumigatus phosphoglucomutase in complex with the reaction intermediate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, Phosphoglucomutase
Authors:Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: CHLORIDE ION, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Morton, S, Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-09-14
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Genetic and structural validation of UDP-glucose pyrophosphorylase as a novel antifungal target against 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
Descriptor: GLYCEROL, Phosphoglucomutase, SULFATE ION, ...
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PIZ
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BU of 7piz by Molmil
The structure of phosphoglucomutase from Candida albicans
Descriptor: Phosphoglucomutase, SULFATE ION
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
6EOU
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BU of 6eou by Molmil
O-GlcNAc transferase TPR domain with the intellectual disability associated mutation L254F
Descriptor: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Gundogdu, M, van Aalten, D.M.F.
Deposit date:2017-10-10
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The O-GlcNAc Transferase Intellectual Disability Mutation L254F Distorts the TPR Helix.
Cell Chem Biol, 25, 2018
6I5X
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BU of 6i5x by Molmil
Crystal structure of Aspergillus fumigatus phosphomannomutase
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Aspergillus fumigatus phosphomannomutase
To Be Published
6IBU
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BU of 6ibu by Molmil
Apo Crh5 transglycosylase
Descriptor: GLYCEROL, Probable glycosidase crf1
Authors:Bartual, S.G, Fang, W, van Aalten, D.M.F.
Deposit date:2018-11-30
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
6IBW
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BU of 6ibw by Molmil
Crh5 transglycosylase in complex with NAG
Descriptor: 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
Authors:Fang, W, Bartual, S.G, van Aalten, D.M.F.
Deposit date:2018-12-01
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
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
Descriptor: CHITINASE B, GLYCEROL, SULFATE ION
Authors:Kolstad, G, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2001-10-21
Release date:2001-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the D140N Mutant of Chitinase B from Serratia Marcescens at 1.45 A Resolution.
Acta Crystallogr.,Sect.D, 58, 2002
6JIK
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BU of 6jik by Molmil
Aspergillus fumigatus Rho1 GsGTP
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1
Authors:Bartual, S.G, Van Aalten, D.M.F.
Deposit date:2019-02-22
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Aspergillus fumigatus Rho1 gSGTP complex
To Be Published
1ODV
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BU of 1odv by Molmil
Photoactive yellow protein 1-25 deletion mutant
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Vreede, J, Van Der horst, M.A, Hellingwerf, K.J, Crielaard, W, Van Aalten, D.M.F.
Deposit date:2003-03-14
Release date:2003-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Pas Domains.Common Structure and Common Flexibility
J.Biol.Chem., 278, 2003
2Y8U
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BU of 2y8u by Molmil
A. nidulans chitin deacetylase
Descriptor: CHITIN DEACETYLASE, CHLORIDE ION, COBALT (II) ION, ...
Authors:Penman, G, Gay, L.M, van Aalten, D.M.F.
Deposit date:2011-02-10
Release date:2012-02-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure and function of a broad-specificity chitin deacetylase from Aspergillus nidulans FGSC A4.
Sci Rep, 7, 2017
1OKZ
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BU of 1okz by Molmil
Structure of human PDK1 kinase domain in complex with UCN-01
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ...
Authors:Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2003-08-01
Release date:2004-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
1OKY
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BU of 1oky by Molmil
Structure of human PDK1 kinase domain in complex with staurosporine
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, STAUROSPORINE, ...
Authors:Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2003-08-01
Release date:2004-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
1O7S
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BU of 1o7s by Molmil
High resolution structure of Siglec-7
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, ...
Authors:Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
Deposit date:2002-11-12
Release date:2003-03-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High Resolution Structures of Siglec-7 - Insights Into Ligand Specificity in the Siglec Family
J.Biol.Chem., 278, 2003
2BEM
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BU of 2bem by Molmil
Crystal structure of the Serratia marcescens chitin-binding protein CBP21
Descriptor: 1,2-ETHANEDIOL, CBP21, SODIUM ION, ...
Authors:Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
Deposit date:2004-11-26
Release date:2004-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2BEN
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BU of 2ben by Molmil
Crystal structure of the Serratia marcescens chitin-binding protein CBP21 Y54A mutant.
Descriptor: CBP21
Authors:Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
Deposit date:2004-11-26
Release date:2004-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
Descriptor: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-09-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
Authors: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.
Deposit date:2003-10-27
Release date:2004-04-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
Authors: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.
Deposit date:2003-10-27
Release date:2004-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
2VKI
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BU of 2vki by Molmil
Structure of the PDK1 PH domain K465E mutant
Descriptor: 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION
Authors:Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2007-12-19
Release date:2008-05-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance.
Mol.Cell.Biol., 28, 2008
2CH9
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BU of 2ch9 by Molmil
Crystal structure of dimeric human cystatin F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2006-03-13
Release date:2006-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
2IUZ
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BU of 2iuz by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine
Descriptor: 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION
Authors:Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F.
Deposit date:2006-06-08
Release date:2006-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor
J.Biol.Chem., 281, 2006
2IW0
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BU of 2iw0 by Molmil
Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum
Descriptor: ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ...
Authors:Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F.
Deposit date:2006-06-23
Release date:2006-07-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006

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