5HDE
 
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4GE6
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2Y2F
 | | Crystal structure of Yersinia pestis YopH in complex with an aminooxy- containing platform compound for inhibitor design | | 分子名称: | PROTEIN-TYROSINE PHOSPHATASE YOPH, [4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM | | 著者 | Lountos, G.T, Bahta, M, Dyas, B, Ulrich, R.G, Waugh, D.S, Burke, T.R. | | 登録日 | 2010-12-14 | | 公開日 | 2011-03-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Utilization of Nitrophenylphosphates and Oxime-Based Ligation for the Development of Nanomolar Affinity Inhibitors of the Yersinia Pestis Outer Protein H (Yoph) Phosphatase.
J.Med.Chem., 54, 2011
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2YDU
 | | Crystal structure of YopH in complex with 3-(1,1-dioxido-3- oxoisothiazolidin-5-yl)benzaldeyde | | 分子名称: | 3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE, OUTER PROTEIN H PHOSPHATASE | | 著者 | Lountos, G.T, Kim, S.E, Bahta, M, Ulrich, R.G, Waugh, D.S, Burke, T.R. | | 登録日 | 2011-03-24 | | 公開日 | 2011-11-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Isothiazolidinone (Izd) as a Phosphoryl Mimetic in Inhibitors of the Yersinia Pestis Protein Tyrosine Phosphatase Yoph.
Acta Crystallogr.,Sect.D, 67, 2011
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2ZN7
 | | CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes | | 分子名称: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Xu, W, Wu, J. | | 登録日 | 2008-04-22 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
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2ZMM
 | | Crystal structure of PTP1B-inhibitor complex | | 分子名称: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Xu, W, Wu, J. | | 登録日 | 2008-04-19 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
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3A5J
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3A5K
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3B7O
 | | Crystal structure of the human tyrosine phosphatase SHP2 (PTPN11) with an accessible active site | | 分子名称: | D-MALATE, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Ugochukwu, E, Barr, A, Patel, A, King, O, Niesen, F, Salah, E, Savitsky, P, Pilka, E.S, Elkins, J, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2007-10-31 | | 公開日 | 2007-11-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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6OLQ
 | | Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, apo state | | 分子名称: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-04-16 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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3SR9
 | | Crystal structure of mouse PTPsigma | | 分子名称: | Receptor-type tyrosine-protein phosphatase S | | 著者 | Wang, J, Hou, L, Li, J, Ding, J. | | 登録日 | 2011-07-07 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural insights into the homology and differences between mouse protein tyrosine phosphatase-sigma and human protein tyrosine phosphatase-sigma
Acta Biochim.Biophys.Sin., 43, 2011
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6OMY
 | | Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-04-19 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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8G68
 | | Wildtype PTP1b in complex with DES5742 | | 分子名称: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G6A
 | | Wildtype PTP1b in complex with DES6016 | | 分子名称: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G69
 | | Wildtype PTP1b in complex with DES5743 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G67
 | | Wildtype PTP1b in complex with DES4884 | | 分子名称: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G65
 | | Wildtype PTP1b in complex with DES4799 | | 分子名称: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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6OL4
 | | Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, apo state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-04-15 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PGT
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-24 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PHA
 | | Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, vanadate bound state | | 分子名称: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ... | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-25 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PHS
 | | Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-25 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.129 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PFW
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, apo state | | 分子名称: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PG0
 | | Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, vanadate bound state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-23 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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8GVV
 | | PTPN21 PTP domain C1108S mutant | | 分子名称: | IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21 | | 著者 | Chen, L, Zheng, Y.Y, Zhou, C. | | 登録日 | 2022-09-15 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
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8GWH
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