6OLV
 
 | | Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, apo state | | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-04-17 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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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6OMY
 | | Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-04-19 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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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6OL4
 | | Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, apo state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-04-15 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 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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7RIN
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8U1E
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8G69
 | | Wildtype PTP1b in complex with DES5743 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | 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 | | Descriptor: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | 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 | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | 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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8G68
 | | Wildtype PTP1b in complex with DES5742 | | Descriptor: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | 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 | | Descriptor: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 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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4NND
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6PGT
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-24 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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 | | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ... | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-25 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | 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 | | Descriptor: | IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21 | | Authors: | Chen, L, Zheng, Y.Y, Zhou, C. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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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6PHS
 | | Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-25 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.129 Å) | | Cite: | 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 | | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-22 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | 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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4BJO
 | | Nitrate in the active site of PTP1b is a putative mimetic of the transition state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Kenny, P.W, Newman, J, Peat, T.S. | | Deposit date: | 2013-04-19 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Nitrate in the Active Site of Protein Tyrosine Phosphatase 1B is a Putative Mimetic of the Transition State.
Acta Crystallogr.,Sect.D, 70, 2014
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8F88
 | | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Morris, R, Kershaw, N.J, Babon, J.J. | | Deposit date: | 2022-11-21 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
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6PG0
 | | Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-23 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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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6PM8
 | | Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-07-01 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | 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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4AZ1
 | | Crystal structure of the Trypanosoma cruzi protein tyrosine phosphatase TcPTP1, a potential therapeutic target for Chagas' disease | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, TYROSINE SPECIFIC PROTEIN PHOSPHATASE | | Authors: | Lountos, G.T, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2012-06-22 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.181 Å) | | Cite: | Structure of the Trypanosoma Cruzi Protein Tyrosine Phosphatase Tcptp1, a Potential Therapeutic Target for Chagas' Disease.
Mol.Biochem.Parasitol., 187, 2012
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8XOY
 | | The Crystal Structure of PTP1B from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Li, J. | | Deposit date: | 2024-01-02 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Crystal Structure of PTP1B from Biortus.
To Be Published
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8GWH
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3ZM0
 | | Catalytic domain of human SHP2 | | Descriptor: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | | Authors: | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | | Deposit date: | 2013-02-04 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
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3ZM2
 | | Catalytic domain of human SHP2 | | Descriptor: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | | Authors: | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | | Deposit date: | 2013-02-04 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
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