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PDB: 173 件
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
1EAZ
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Crystal structure of the phosphoinositol (3,4)-bisphosphate binding PH domain of TAPP1 from human.
分子名称: CITRIC ACID, TANDEM PH DOMAIN CONTAINING PROTEIN-1
著者Thomas, C.C, Dowler, S, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2001-07-17
公開日2002-07-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
5NPR
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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
2J62
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Structure of a bacterial O-glcnacase in complex with glcnacstatin
分子名称: CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ
著者Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F.
登録日2006-09-22
公開日2007-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels.
J. Am. Chem. Soc., 128, 2006
5OXD
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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
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
4AY1
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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
4AY5
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Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ...
著者Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
登録日2012-06-18
公開日2012-10-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4AY6
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Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide
分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ...
著者Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
登録日2012-06-18
公開日2012-10-24
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4BHU
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Crystal structure of BslA - A bacterial hydrophobin
分子名称: CHLORIDE ION, GLYCEROL, UNCHARACTERIZED PROTEIN YUAB
著者Rao, F.V, Hobley, L, Ostrowski, A, Bromley, K.M, Porter, M, Prescott, A.R, Swedlow, J.R, MacPhee, C.E, van Aalten, D.M.F, Stanley-Wall, N.R.
登録日2013-04-08
公開日2013-08-14
最終更新日2013-08-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Bsla is a Self-Assembling Bacterial Hydrophobin that Coats the Bacillus Subtilis Biofilm.
Proc.Natl.Acad.Sci.USA, 110, 2013
2VKI
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BU of 2vki by Molmil
Structure of the PDK1 PH domain K465E mutant
分子名称: 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION
著者Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F.
登録日2007-12-19
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance.
Mol.Cell.Biol., 28, 2008
4BJU
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Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target
分子名称: MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE
著者Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F.
登録日2013-04-19
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target.
Biosci.Rep, 33, 2013
1O7V
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High resolution structure of Siglec-7
分子名称: SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
登録日2002-11-14
公開日2003-03-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family.
J.Biol.Chem., 278, 2003
4BOK
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Crystal structure of Bacillus circulans TN-31 Aman6
分子名称: ALPHA-1,6-MANNANASE
著者Striebeck, A, van Aalten, D.M.F.
登録日2013-05-21
公開日2014-05-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
To be Published
4BOJ
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Crystal structure of Bacillus circulans TN-31 Aman6 in complex with mannobiose
分子名称: ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
著者Striebeck, A, van Aalten, D.M.F.
登録日2013-05-21
公開日2014-05-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
To be Published
4CAX
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Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646)
分子名称: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Raimi, O.G, Robinson, D.A, Fang, W, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
登録日2013-10-09
公開日2014-09-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAV
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BU of 4cav by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879
分子名称: 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
著者Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
登録日2013-10-09
公開日2014-09-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAW
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Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
分子名称: 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
登録日2013-10-09
公開日2014-09-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
1H10
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HIGH RESOLUTION 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Thomas, C.C, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2002-07-01
公開日2003-06-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Structure of the Pleckstrin Homology Domain of Protein Kinase B/Akt Bound to Phosphatidylinositol (3,4,5)-Trisphosphate
Curr.Biol., 12, 2002
1GUV
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BU of 1guv by Molmil
Structure of human chitotriosidase
分子名称: 1,2-ETHANEDIOL, CHITOTRIOSIDASE
著者Von Moeller, H, Houston, D, Boot, R.G, Aerts, J.M.F.G, Van Aalten, D.M.F.
登録日2002-01-31
公開日2003-03-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of Human Chitotriosidase - Implications for Specific Inhibitor Design and Function of Mammalian Chitinase-Like Lectins
J.Biol.Chem., 277, 2002
1H1W
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High resolution crystal structure of the human PDK1 catalytic domain
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2002-07-23
公開日2003-07-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site
Embo J., 21, 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

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