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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2011-07-13
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
2C21
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BU of 2c21 by Molmil
Specificity of the Trypanothione-dependednt Leishmania major Glyoxalase I: Structure and biochemical comparison with the human enzyme
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, ...
著者Ariza, A, Vickers, T.J, Greig, N, Armour, K.A, Eggleston, I.M, Fairlamb, A.H, Bond, C.S.
登録日2005-09-23
公開日2006-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specificity of the Trypanothione-Dependent Leishmania Major Glyoxalase I: Structure and Biochemical Comparison with the Human Enzyme.
Mol.Microbiol., 59, 2006
2CBI
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BU of 2cbi by Molmil
Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase
分子名称: CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ...
著者Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
登録日2006-01-04
公開日2006-02-13
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
2CBJ
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BU of 2cbj by Molmil
Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc
分子名称: CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
著者Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
登録日2006-01-05
公開日2006-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
4AY1
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BU of 4ay1 by Molmil
Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties
分子名称: 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-3-LIKE PROTEIN 2
著者Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F.
登録日2012-06-17
公開日2012-08-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
2XUC
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BU of 2xuc by Molmil
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
2XVN
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BU of 2xvn by Molmil
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
2YBU
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BU of 2ybu by Molmil
Crystal structure of human acidic chitinase in complex with bisdionin F
分子名称: 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL
著者Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E.
登録日2011-03-10
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
2YBT
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BU of 2ybt by Molmil
Crystal structure of human acidic chitinase in complex with bisdionin C
分子名称: 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), ACIDIC MAMMALIAN CHITINASE, GLYCEROL
著者Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E.
登録日2011-03-10
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
3CHE
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BU of 3che by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide
分子名称: Chitinase, Peptide inhibitor, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHC
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BU of 3chc by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide
分子名称: (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CH9
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BU of 3ch9 by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dimethylguanylurea
分子名称: 1-methyl-3-(N-methylcarbamimidoyl)urea, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHF
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BU of 3chf by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tetrapeptide
分子名称: Argifin, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHD
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BU of 3chd by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dipeptide
分子名称: (2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
2XVP
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BU of 2xvp by Molmil
ChiA1 from Aspergillus fumigatus, apostructure
分子名称: CLASS III CHITINASE CHIA1, PHOSPHATE ION
著者Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2010-10-27
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010

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