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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
1E2X
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BU of 1e2x by Molmil
FadR, fatty acid responsive transcription factor from E. coli
Descriptor: FATTY ACID METABOLISM REGULATOR PROTEIN, SULFATE ION
Authors:Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J, Wierenga, R.K.
Deposit date:2000-05-30
Release date:2000-12-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Fadr, a Fatty Acid-Responsive Transcription Factor with a Novel Acyl Coenzyme A-Binding Fold
Embo J., 19, 2000
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
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, GOLD ION, ...
Authors:Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2004-06-21
Release date:2004-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
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:2011-07-13
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:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
2HRL
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Siglec-7 in complex with GT1b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Attrill, H, Imamura, A, Sharma, R.S, Kiso, M, Crocker, P.R, van Aalten, D.M.F.
Deposit date:2006-07-20
Release date:2006-08-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Siglec-7 Undergoes a Major Conformational Change When Complexed with the {alpha}(2,8)-Disialylganglioside GT1b
J.Biol.Chem., 281, 2006
2JLB
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BU of 2jlb by Molmil
Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue
Descriptor: CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-09-07
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
1E6N
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BU of 1e6n by Molmil
Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer
Descriptor: 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, ...
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-21
Release date:2001-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ...
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-22
Release date:2001-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1E6P
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BU of 1e6p by Molmil
Chitinase B from Serratia marcescens inactive mutant E144Q
Descriptor: CHITINASE B, GLYCEROL, SULFATE ION
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-22
Release date:2001-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1E6Z
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BU of 1e6z by Molmil
CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE
Descriptor: 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, ...
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-23
Release date:2001-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
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
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
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
1H9T
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BU of 1h9t by Molmil
FADR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI IN COMPLEX WITH FADB OPERATOR
Descriptor: 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, ...
Authors:Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J.
Deposit date:2001-03-19
Release date:2001-04-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
1H9G
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BU of 1h9g by Molmil
FadR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI, in complex with myristoyl-CoA
Descriptor: COENZYME A, FATTY ACID METABOLISM REGULATOR PROTEIN, MYRISTIC ACID
Authors:Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J.
Deposit date:2001-03-09
Release date:2001-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
1UNQ
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BU of 1unq by Molmil
High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE
Authors:Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2003-09-12
Release date:2004-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
1UNR
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Crystal structure of the PH domain of PKB alpha in complex with a sulfate molecule
Descriptor: RAC-ALPHA SERINE/THREONINE KINASE, SULFATE ION
Authors:Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2003-09-15
Release date:2004-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
1E15
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Chitinase B from Serratia Marcescens
Descriptor: CHITINASE B
Authors:Van Aalten, D.M.F, Synstad, B, Brurberg, M.B, Hough, E, Riise, B.W, Eijsink, V.G.H, Wierenga, R.K.
Deposit date:2000-04-18
Release date:2000-08-18
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Two-Domain Chitotriosidase from Serratia Marcescens at 1.9 Angstrom Resoltuion
Proc.Natl.Acad.Sci.USA, 97, 2000
1EAZ
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BU of 1eaz by Molmil
Crystal structure of the phosphoinositol (3,4)-bisphosphate binding PH domain of TAPP1 from human.
Descriptor: CITRIC ACID, TANDEM PH DOMAIN CONTAINING PROTEIN-1
Authors:Thomas, C.C, Dowler, S, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2001-07-17
Release date:2002-07-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of the Phosphatidylinositol 3,4-Bisphosphate-Binding Pleckstrin Homology (Ph) Domain of Tandem Ph-Domain-Containing Protein 1 (Tapp1): Molecular Basis of Lipid Specificity
Biochem.J., 358, 2001
1H1W
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High resolution crystal structure of the human PDK1 catalytic domain
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2002-07-23
Release date:2003-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site
Embo J., 21, 2003
1WCH
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BU of 1wch by Molmil
Crystal structure of PTPL1 human tyrosine phosphatase mutated in colorectal cancer - evidence for a second phosphotyrosine substrate recognition pocket
Descriptor: PHOSPHATE ION, PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 13
Authors:Villa, F, Deak, M, Bloomberg, G.B, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2004-11-16
Release date:2004-12-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
1W9U
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Specificity and affnity of natural product cyclopentapeptide inhibitor Argadin against Aspergillus fumigatus chitinase
Descriptor: ARGADIN, CHITINASE, SULFATE ION
Authors:Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F.
Deposit date:2004-10-19
Release date:2004-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005

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