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1W1V
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Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Arg-L-Pro) at 1.85 A resolution
分子名称: CHITINASE B, CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR, GLYCEROL, ...
著者Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F.
登録日2004-06-24
公開日2005-01-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors
J.Med.Chem., 47, 2004
1WB0
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specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase
分子名称: ARGIFIN, CHITOTRIOSIDASE 1, GLYCEROL, ...
著者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.
登録日2004-10-29
公開日2005-01-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1W1G
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Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to DiC4-phosphatidylinositol (3,4,5)-trisphosphate
分子名称: (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
著者Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-06-21
公開日2004-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
1W9V
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Specificity and affinity of natural product cyclopentapeptide argifin against Aspergillus fumigatus
分子名称: ARGIFIN, CHITINASE, SULFATE ION
著者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.
登録日2004-10-19
公開日2005-01-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1W9U
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Specificity and affnity of natural product cyclopentapeptide inhibitor Argadin against Aspergillus fumigatus chitinase
分子名称: ARGADIN, CHITINASE, SULFATE ION
著者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.
登録日2004-10-19
公開日2004-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1WAW
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Specificity and affinity of natural product cyclopentapeptide inhibitor Argadin against human chitinase
分子名称: ARGADIN, CHITOTRIOSIDASE 1, GLYCEROL, ...
著者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.
登録日2004-10-28
公開日2005-01-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1W9P
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Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinaseFra
分子名称: CHITINASE, SULFATE ION
著者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.
登録日2004-10-15
公開日2004-10-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1W1H
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BU of 1w1h by Molmil
Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION
著者Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-06-21
公開日2004-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
1UVR
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BU of 1uvr by Molmil
Structure of human PDK1 kinase domain in complex with BIM-8
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
著者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.
登録日2004-01-22
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UPL
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Crystal structure of MO25 alpha
分子名称: MO25 PROTEIN
著者Milburn, C.C, Boudeau, J, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-10-07
公開日2004-01-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Mo25 Alpha in Complex with the C-Terminus of the Pseudo Kinase Ste-20 Related Adaptor (Strad)
Nat.Struct.Mol.Biol., 11, 2004
1UU3
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Structure of human PDK1 kinase domain in complex with LY333531
分子名称: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ...
著者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.
登録日2003-12-15
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
著者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.
登録日2003-12-16
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ...
著者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.
登録日2003-12-16
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UPR
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Crystal structure of the PEPP1 pleckstrin homology domain in complex with Inositol 1,3,4,5-tetrakisphosphate
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, PLECKSTRIN HOMOLOGY DOMAIN-CONTAINING FAMILY A MEMBER 4
著者Milburn, C.C, Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-10-10
公開日2004-10-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structure of the Pleckstrin Homology Domain of Pepp1
To be Published
2UY5
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ScCTS1_kinetin crystal structure
分子名称: ENDOCHITINASE, N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE
著者Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2UY4
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ScCTS1_acetazolamide crystal structure
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ENDOCHITINASE
著者Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2UVM
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Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate
分子名称: BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION
著者Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L.
登録日2007-03-12
公開日2007-04-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
2UY3
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ScCTS1_8-chlorotheophylline crystal structure
分子名称: 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, ENDOCHITINASE
著者Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2VUR
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Chemical dissection of the link between Streptozotocin, O-GlcNAc and pancreatic cell death
分子名称: 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose, O-GLCNACASE NAGJ, SULFATE ION
著者Pathak, S, Dorfmueller, H.C, Borodkin, V.S, van Aalten, D.M.F.
登録日2008-05-29
公開日2009-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemical Dissection of the Link between Streptozotocin, O-Glcnac, and Pancreatic Cell Death.
Chem.Biol., 15, 2008
2WB5
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GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation
分子名称: (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, CHLORIDE ION, O-GLCNACASE NAGJ, ...
著者Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F.
登録日2009-02-20
公開日2009-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation
Biochem.J., 420, 2009
2VEZ
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AfGNA1 crystal structure complexed with Acetyl-CoA and Glucose-6P gives new insights into catalysis
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, PHOSPHATE ION, ...
著者Hurtado-Guerrero, R, Raimi, O, Shepherd, S, van Aalten, D.M.F.
登録日2007-10-27
公開日2009-03-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Glucose-6-Phosphate as a Probe for the Glucosamine- 6-Phosphate N-Acetyltransferase Michaelis Complex.
FEBS Lett., 581, 2007
2UY2
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ScCTS1_apo crystal structure
分子名称: ENDOCHITINASE, GLYCEROL
著者Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2W63
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARITRIOSE AND LAMINARITETRAOSE
分子名称: GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Schuettelkopf, A.W, Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2008-12-16
公開日2009-01-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W61
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Saccharomyces cerevisiae Gas2p apostructure (E176Q mutant)
分子名称: GLYCOLIPID-ANCHORED SURFACE PROTEIN 2
著者Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2008-12-16
公開日2009-02-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
分子名称: 1,4-BUTANEDIOL, GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2008-12-16
公開日2009-01-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009

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