Author results

1O7L
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MOLYBDATE-ACTIVATED FORM OF MODE FROM ESCHERICHIA COLI
Descriptor:TRANSCRIPTIONAL REGULATOR MODE, MOLYBDATE ION, CHLORIDE ION, ...
Authors:Schuttelkopf, A.W., Hunter, W.N.
Deposit date:2002-11-08
Release date:2003-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of Activated Mode Reveals Conformational Changes Involving Both Oxyanion and DNA-Binding Domains
J.Mol.Biol., 326, 2003
2IUZ
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CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS CHITINASE B1 IN COMPLEX WITH C2-DICAFFEINE
Descriptor:CHITINASE, SULFATE ION, 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
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
2XSA
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OGOGA APOSTRUCTURE
Descriptor:HYALURONOGLUCOSAMINIDASE, CHLORIDE ION
Authors:Schuttelkopf, A.W., van Aalten, D.M.F.
Deposit date:2010-09-27
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
2XSB
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OGOGA PUGNAC COMPLEX
Descriptor:HYALURONOGLUCOSAMINIDASE, 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE, CHLORIDE ION
Authors:Schuttelkopf, A.W., van Aalten, D.M.F.
Deposit date:2010-09-27
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
1NP6
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI MOBB
Descriptor:Molybdopterin-guanine dinucleotide biosynthesis protein B, SULFATE ION
Authors:McLuskey, K., Harrison, J.A., Schuttelkopf, A.W., Boxer, D.H., Hunter, W.N.
Deposit date:2003-01-17
Release date:2003-04-29
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insight into the role of Escherichia coli MobB in Molybdenum cofactor biosynthesis based on the high resolution crystal structure
J.Biol.Chem., 278, 2003
1UU3
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH LY333531
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-15
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU7
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-2
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU8
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-1
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU9
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-3
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UVR
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-8
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Garrido-Franco, M., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2004-01-22
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
2C1G
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STRUCTURE OF STREPTOCOCCUS PNEUMONIAE PEPTIDOGLYCAN DEACETYLASE (SPPGDA)
Descriptor:PEPTIDOGLYCAN GLCNAC DEACETYLASE, ACETATE ION, ZINC ION, ...
Authors:Blair, D.E., Schuttelkopf, A.W., MacRae, J.I., van Aalten, D.M.F.
Deposit date:2005-09-14
Release date:2005-09-15
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
2C1I
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STRUCTURE OF STREPTOCOCCUS PNEUMONIAE PEPTIDOGLYCAN DEACETYLASE (SPPGDA) D 275 N MUTANT.
Descriptor:PEPTIDOGLYCAN GLCNAC DEACETYLASE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ZINC ION, ...
Authors:Blair, D.E., Schuttelkopf, A.W., MacRae, J.I., van Aalten, D.M.F.
Deposit date:2005-09-15
Release date:2005-09-20
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
2IW0
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STRUCTURE OF THE CHITIN DEACETYLASE FROM THE FUNGAL PATHOGEN COLLETOTRICHUM LINDEMUTHIANUM
Descriptor:CHITIN DEACETYLASE, ZINC ION, ACETATE 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:2011-07-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
2XUC
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NATURAL PRODUCT-GUIDED DISCOVERY OF A FUNGAL CHITINASE INHIBITOR
Descriptor:CHITINASE, 1-methyl-3-(N-methylcarbamimidoyl)urea, PHOSPHATE ION, ...
Authors: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.
Deposit date:2010-10-18
Release date:2010-10-27
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2XVN
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A. FUMIGATUS CHITINASE A1 PHENYL-METHYLGUANYLUREA COMPLEX
Descriptor:ASPERGILLUS FUMIGATUS CHITINASE A1, 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, CHLORIDE ION
Authors: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.
Deposit date:2010-10-26
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
4BFL
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STRUCTURE OF NATIVELY EXPRESSED CATALASE HPII
Descriptor:CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE, 1,2-ETHANEDIOL
Authors:Gabrielsen, M., Schuttelkopf, A.W.
Deposit date:2013-03-19
Release date:2013-04-03
Last modified:2013-04-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Accidents Happen: Crystallisation of Catalase from a Mixed Protein Solution
To be Published
2CH9
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CRYSTAL STRUCTURE OF DIMERIC HUMAN CYSTATIN F
Descriptor:CYSTATIN F, N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Schuettelkopf, A.W., van Aalten, D.M.F.
Deposit date:2006-03-13
Release date:2006-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
2XTK
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CHIA1 FROM ASPERGILLUS FUMIGATUS IN COMPLEX WITH ACETAZOLAMIDE
Descriptor:CLASS III CHITINASE CHIA1, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, PHOSPHATE ION
Authors:Schuettelkopf, A.W., van Aalten, D.M.F.
Deposit date:2010-10-11
Release date:2011-10-26
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acetazolamide-Based Fungal Chitinase Inhibitors.
Bioorg.Med.Chem., 18, 2010
2JLB
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XANTHOMONAS CAMPESTRIS PUTATIVE OGT (XCC0866), COMPLEX WITH UDP- GLCNAC PHOSPHONATE ANALOGUE
Descriptor:XCC0866, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, MANGANESE (II) ION, ...
Authors:Schuettelkopf, A.W., Clarke, A.J., van Aalten, D.M.F.
Deposit date:2008-09-07
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
2VSY
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XANTHOMONAS CAMPESTRIS PUTATIVE OGT (XCC0866), APOSTRUCTURE
Descriptor:XCC0866, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Schuettelkopf, A.W., Clarke, A.J., van Aalten, D.M.F.
Deposit date:2008-05-01
Release date:2008-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
2W61
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SACCHAROMYCES CEREVISIAE GAS2P APOSTRUCTURE (E176Q MUTANT)
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W62
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARIPENTAOSE
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, BETA-D-GLUCOSE, 1,4-BUTANEDIOL
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-01-27
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W63
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARITRIOSE AND LAMINARITETRAOSE
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, BETA-D-GLUCOSE
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., Van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-01-27
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2XZ3
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BLV TM HAIRPIN
Descriptor:MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ENVELOPE GLYCOPROTEIN, MALTOSE, ...
Authors:Schuettelkopf, A.W., Lamb, D., Brighty, D.W., van Aalten, D.M.F.
Deposit date:2010-11-22
Release date:2011-03-02
Last modified:2017-03-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
3ZJ0
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THE HUMAN O-GLCNACASE C-TERMINAL DOMAIN IS A PSEUDO HISTONE ACETYLTRANSFERASE
Descriptor:ACETYLTRANSFERASE, ACETYL COENZYME *A, 1,2-ETHANEDIOL, ...
Authors:Rao, F.V., Schuettelkopf, A.W., Dorfmueller, H.C., Ferenbach, A.T., Navratilova, I., van Aalten, D.M.F.
Deposit date:2013-01-15
Release date:2013-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain.
Open Biol., 3, 2013
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