6EGL
 
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6EGN
 | | Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere | | 分子名称: | CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ... | | 著者 | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2018-08-20 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
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2R8Z
 | | Crystal structure of YrbI phosphatase from Escherichia coli in complex with a phosphate and a calcium ion | | 分子名称: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CALCIUM ION, PHOSPHATE ION | | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | | 登録日 | 2007-09-11 | | 公開日 | 2008-09-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
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2R8X
 | | Crystal structure of YrbI phosphatase from Escherichia coli | | 分子名称: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION | | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | | 登録日 | 2007-09-11 | | 公開日 | 2008-09-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
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2R8Y
 | | Crystal structure of YrbI phosphatase from Escherichia coli in a complex with Ca | | 分子名称: | CALCIUM ION, CHLORIDE ION, YrbI from Escherichia coli | | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | | 登録日 | 2007-09-11 | | 公開日 | 2008-09-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
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2R8E
 | | Crystal structure of YrbI from Escherichia coli in complex with Mg | | 分子名称: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION | | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R, Biswas, T. | | 登録日 | 2007-09-10 | | 公開日 | 2008-09-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
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1XXP
 | | Yersinia YopH (residues 163-468) C403S binds phosphotyrosyl peptide at two sites | | 分子名称: | Hexapeptide ASP-ALA-ASP-GLU-PTR-CLE, Protein-tyrosine phosphatase yopH | | 著者 | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | | 登録日 | 2004-11-07 | | 公開日 | 2005-03-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence
Mol.Microbiol., 55, 2005
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2VSL
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1XXV
 | | Yersinia YopH (residues 163-468) binds phosphonodifluoromethyl-Phe containing hexapeptide at two sites | | 分子名称: | Epidermal growth factor receptor derived peptide, Protein-tyrosine phosphatase yopH | | 著者 | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | | 登録日 | 2004-11-08 | | 公開日 | 2005-03-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence
Mol.Microbiol., 55, 2005
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2X6P
 | | Crystal Structure of Coil Ser L19C | | 分子名称: | COIL SER L19C, ZINC ION | | 著者 | Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2010-02-18 | | 公開日 | 2010-09-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural Comparisons of Apo- and Metalated Three-Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides.
J.Am.Chem.Soc., 132, 2010
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3TWE
 | | Crystal Structure of the de novo designed peptide alpha4H | | 分子名称: | ACETYL GROUP, TRIETHYLENE GLYCOL, alpha4H | | 著者 | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | | 登録日 | 2011-09-21 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TWG
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3TWF
 | | Crystal structure of the de novo designed fluorinated peptide alpha4F3a | | 分子名称: | ACETYL GROUP, SODIUM ION, TRIETHYLENE GLYCOL, ... | | 著者 | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | | 登録日 | 2011-09-21 | | 公開日 | 2012-03-14 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3SW7
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6C7R
 | | BRD4 BD1 in complex with compound CF53 | | 分子名称: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2018-01-23 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
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6CJG
 | | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | | 分子名称: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2018-02-26 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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6CJF
 | | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | | 分子名称: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2018-02-26 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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6C7Q
 | | BRD4 BD2 in complex with compound CE277 | | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2018-01-23 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
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6DHS
 | | Structure of hnRNP H qRRM1,2 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein H | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2018-05-21 | | 公開日 | 2018-09-12 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H.
J. Am. Chem. Soc., 2018
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7KMU
 | | Structure of WT Malaysian Banana Lectin | | 分子名称: | 1,2-ETHANEDIOL, Jacalin-type lectin domain-containing protein | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2020-11-03 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity.
Sci Rep, 11, 2021
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7KMV
 | | Structure of Malaysian Banana Lectin F84T | | 分子名称: | Jacalin-type lectin domain-containing protein, SULFATE ION | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2020-11-03 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity.
Sci Rep, 11, 2021
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5U9U
 | | De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands | | 分子名称: | Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | | 著者 | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2016-12-18 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
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5U9T
 | | The Tris-thiolate Zn(II)S3Cl Binding Site Engineered by D-Cysteine Ligands in de Novo Three-stranded Coiled Coil Environment | | 分子名称: | ACETATE ION, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | | 著者 | Ruckthong, L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2016-12-18 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
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5TRF
 | | MDM2 in complex with SAR405838 | | 分子名称: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2016-10-26 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
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5T20
 | | Crystal Structure of Tarin Lectin bound to Trimannose | | 分子名称: | 1,2-ETHANEDIOL, Lectin, alpha-D-mannopyranose, ... | | 著者 | Pereira, P.R, Meagher, J.L, Stuckey, J.A. | | 登録日 | 2016-08-22 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | High-resolution crystal structures of Colocasia esculenta tarin lectin.
Glycobiology, 27, 2017
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