2W63
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2W62
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![BU of 2w62 by Molmil](/molmil-images/mine/2w62) | Saccharomyces cerevisiae Gas2p in complex with laminaripentaose | Descriptor: | 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 | Authors: | Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2008-12-16 | Release date: | 2009-01-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling. J.Biol.Chem., 284, 2009
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2VSY
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![BU of 2vsy by Molmil](/molmil-images/mine/2vsy) | Xanthomonas campestris putative OGT (XCC0866), apostructure | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase. Embo J., 27, 2008
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2CH9
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![BU of 2ch9 by Molmil](/molmil-images/mine/2ch9) | Crystal structure of dimeric human cystatin F | Descriptor: | 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, ... | Authors: | Schuettelkopf, A.W, van Aalten, D.M.F. | Deposit date: | 2006-03-13 | Release date: | 2006-04-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis of Reduction-Dependent Activation of Human Cystatin F. J.Biol.Chem., 281, 2006
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6I15
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![BU of 6i15 by Molmil](/molmil-images/mine/6i15) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11 | Descriptor: | 1,2-ETHANEDIOL, 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I11
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![BU of 6i11 by Molmil](/molmil-images/mine/6i11) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3 | Descriptor: | ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I18
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![BU of 6i18 by Molmil](/molmil-images/mine/6i18) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176 | Descriptor: | 1,2-ETHANEDIOL, 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I10
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![BU of 6i10 by Molmil](/molmil-images/mine/6i10) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I14
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![BU of 6i14 by Molmil](/molmil-images/mine/6i14) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9 | Descriptor: | 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I12
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![BU of 6i12 by Molmil](/molmil-images/mine/6i12) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5 | Descriptor: | 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I0Z
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![BU of 6i0z by Molmil](/molmil-images/mine/6i0z) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1 | Descriptor: | Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I13
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![BU of 6i13 by Molmil](/molmil-images/mine/6i13) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7 | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I17
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![BU of 6i17 by Molmil](/molmil-images/mine/6i17) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24 | Descriptor: | 1,2-ETHANEDIOL, 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6I16
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![BU of 6i16 by Molmil](/molmil-images/mine/6i16) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15 | Descriptor: | 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide, ACETATE ION, Fascin | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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3ZJ0
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![BU of 3zj0 by Molmil](/molmil-images/mine/3zj0) | The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ... | 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 | Last modified: | 2024-05-08 | 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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4TX6
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![BU of 4tx6 by Molmil](/molmil-images/mine/4tx6) | AfChiA1 in complex with compound 1 | Descriptor: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | Authors: | van Aalten, D.M.F. | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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2Y8V
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![BU of 2y8v by Molmil](/molmil-images/mine/2y8v) | Structure of chitinase, ChiC, from Aspergillus fumigatus. | Descriptor: | CLASS III CHITINASE, PUTATIVE, SODIUM ION | Authors: | Rush, C.L, Schuettelkopf, A.W, Gay, L.M, van Aalten, D.M.F. | Deposit date: | 2011-02-10 | Release date: | 2012-02-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of Chitinase, Chic, from Aspergillus Fumigatus. To be Published
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