2XZ3
 
 | | BLV TM hairpin | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ... | | 著者 | Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F. | | 登録日 | 2010-11-22 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
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2JLB
 | | 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
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2VSY
 | | Xanthomonas campestris putative OGT (XCC0866), apostructure | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F. | | 登録日 | 2008-05-01 | | 公開日 | 2008-11-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
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2W63
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2W62
 | | 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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2W61
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1H9S
 | | Molybdate bound complex of Dimop domain of ModE from E.coli | | 分子名称: | MOLYBDATE ION, MOLYBDENUM TRANSPORT PROTEIN MODE | | 著者 | Gourley, D.G, Hunter, W.N. | | 登録日 | 2001-03-19 | | 公開日 | 2001-06-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Oxyanion Binding Alters Conformational and Quaternary Structure of the C-Terminal Domain of the Transcriptional Regulator Mode; Implications for Molybdate-Dependant Regulation, Signalling, Storage and Transport
J.Biol.Chem., 276, 2001
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1H9R
 | | Tungstate bound complex Dimop domain of ModE from E.coli | | 分子名称: | MOLYBDENUM TRANSPORT PROTEIN MODE, NICKEL (II) ION, TUNGSTATE(VI)ION | | 著者 | Gourley, D.G, Hunter, W.N. | | 登録日 | 2001-03-19 | | 公開日 | 2001-06-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Oxyanion Binding Alters Conformational and Quaternary Structure of the C-Terminal Domain of the Transcriptional Regulator Mode; Implications for Molybdate-Dependant Regulation, Signalling, Storage and Transport
J.Biol.Chem., 276, 2001
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5BNW
 | | The active site of O-GlcNAc transferase imposes constraints on substrate sequence | | 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, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191 | | 著者 | Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F. | | 登録日 | 2015-05-26 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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5C1D
 | | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L) | | 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, PHOSPHATE ION, Retinoblastoma-like protein 2, ... | | 著者 | Schimpl, M, Rafie, K, van Aalten, D.M.F. | | 登録日 | 2015-06-13 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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6I11
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3 | | 分子名称: | ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9 | | 分子名称: | 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5 | | 分子名称: | 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2 | | 分子名称: | 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, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1 | | 分子名称: | Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | 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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6I15
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11 | | 分子名称: | 1,2-ETHANEDIOL, 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide, ACETATE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24 | | 分子名称: | 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, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176 | | 分子名称: | 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, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15 | | 分子名称: | 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide, ACETATE ION, Fascin | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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2J4O
 | | Structure of TAB1 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7-INTERACTING PROTEIN 1 | | 著者 | van Aalten, D. | | 登録日 | 2006-09-01 | | 公開日 | 2006-09-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Tak1-Binding Protein 1 is a Pseudophosphatase.
Biochem.J., 399, 2006
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