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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
2IW0
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BU of 2iw0 by Molmil
Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum
分子名称: ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ...
著者Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F.
登録日2006-06-23
公開日2006-07-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
2IUZ
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BU of 2iuz by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine
分子名称: 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION
著者Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F.
登録日2006-06-08
公開日2006-06-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor
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
分子名称: CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ...
著者Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
登録日2008-09-07
公開日2008-11-25
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 Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
2HRL
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BU of 2hrl by Molmil
Siglec-7 in complex with GT1b
分子名称: 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, ...
著者Attrill, H, Imamura, A, Sharma, R.S, Kiso, M, Crocker, P.R, van Aalten, D.M.F.
登録日2006-07-20
公開日2006-08-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Siglec-7 Undergoes a Major Conformational Change When Complexed with the {alpha}(2,8)-Disialylganglioside GT1b
J.Biol.Chem., 281, 2006
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
1H9G
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BU of 1h9g by Molmil
FadR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI, in complex with myristoyl-CoA
分子名称: COENZYME A, FATTY ACID METABOLISM REGULATOR PROTEIN, MYRISTIC ACID
著者Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J.
登録日2001-03-09
公開日2001-03-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
1H9T
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BU of 1h9t by Molmil
FADR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI IN COMPLEX WITH FADB OPERATOR
分子名称: 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, ...
著者Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J.
登録日2001-03-19
公開日2001-04-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
1OKZ
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BU of 1okz by Molmil
Structure of human PDK1 kinase domain in complex with UCN-01
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献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
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, STAUROSPORINE, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, ...
著者Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
登録日2002-11-12
公開日2003-03-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Vreede, J, Van Der horst, M.A, Hellingwerf, K.J, Crielaard, W, Van Aalten, D.M.F.
登録日2003-03-14
公開日2003-03-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Pas Domains.Common Structure and Common Flexibility
J.Biol.Chem., 278, 2003
5NPR
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BU of 5npr by Molmil
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
2BEN
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BU of 2ben by Molmil
Crystal structure of the Serratia marcescens chitin-binding protein CBP21 Y54A mutant.
分子名称: CBP21
著者Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
登録日2004-11-26
公開日2004-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2C07
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Oxoacyl-ACP reductase of Plasmodium falciparum
分子名称: 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION
著者Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F.
登録日2005-08-26
公開日2005-10-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
2CH9
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BU of 2ch9 by Molmil
Crystal structure of dimeric human cystatin F
分子名称: 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, ...
著者Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2006-03-13
公開日2006-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
2BEM
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BU of 2bem by Molmil
Crystal structure of the Serratia marcescens chitin-binding protein CBP21
分子名称: 1,2-ETHANEDIOL, CBP21, SODIUM ION, ...
著者Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
登録日2004-11-26
公開日2004-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
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
1UNQ
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High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE
著者Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
登録日2003-09-12
公開日2004-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献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
分子名称: RAC-ALPHA SERINE/THREONINE KINASE, SULFATE ION
著者Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
登録日2003-09-15
公開日2004-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
1HKM
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BU of 1hkm by Molmil
High resolution crystal structure of human chitinase in complex with demethylallosamidin
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, CHITOTRIOSIDASE, METHYL N-ACETYL ALLOSAMINE
著者Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Sakuda, S, Van Aalten, D.M.F.
登録日2003-03-10
公開日2004-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase
J.Biol.Chem., 278, 2003
1HJW
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Crystal structure of hcgp-39 in complex with chitin octamer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
登録日2003-02-28
公開日2003-03-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes
J.Biol.Chem., 278, 2003
1HJV
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Crystal structure of hcgp-39 in complex with chitin tetramer
分子名称: 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, 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, ...
著者Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
登録日2003-02-28
公開日2003-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes.
J.Biol.Chem., 278, 2003
1HJX
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Ligand-induced signalling and conformational change of the 39 kD glycoprotein from human articular chondrocytes
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3 LIKE PROTEIN 1, GLYCEROL, ...
著者Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
登録日2003-02-28
公開日2003-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes
J.Biol.Chem., 278, 2003
1HKI
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Crystal structure of human chitinase in complex with glucoallosamidin B
分子名称: 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITOTRIOSIDASE, METHYL N-ACETYL ALLOSAMINE
著者Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Sakuda, S, Van Aalten, D.M.F.
登録日2003-03-10
公開日2004-03-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase
J.Biol.Chem., 278, 2003

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