7PPM
| SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896) | 分子名称: | GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Sok, P, Zeke, A, Remenyi, A. | 登録日 | 2021-09-14 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling. Nat Commun, 13, 2022
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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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3A5J
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7RIN
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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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8GWH
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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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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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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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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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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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3BM8
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3BLU
| crystal structure YopH complexed with inhibitor PVS | 分子名称: | (ethenylsulfonyl)benzene, Tyrosine-protein phosphatase yopH | 著者 | Liu, S, Zhang, Z.-Y. | 登録日 | 2007-12-11 | 公開日 | 2008-10-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases J.Am.Chem.Soc., 130, 2008
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3D9C
| Crystal Structure PTP1B complex with aryl Seleninic acid | 分子名称: | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Abdo, M, Liu, S, Zhou, B, Walls, C.D, Knapp, S, Zhang, Z.-Y. | 登録日 | 2008-05-27 | 公開日 | 2008-09-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Seleninate in place of phosphate: irreversible inhibition of protein tyrosine phosphatases. J.Am.Chem.Soc., 130, 2008
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1FPR
| CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN THE CATALYTIC DOMAIN OF SHP-1 AND AN IN VITRO PEPTIDE SUBSTRATE PY469 DERIVED FROM SHPS-1. | 分子名称: | PEPTIDE PY469, PROTEIN-TYROSINE PHOSPHATASE 1C | 著者 | Yang, J, Cheng, Z, Niu, Z, Zhao, Z.J, Zhou, G.W. | 登録日 | 2000-08-31 | 公開日 | 2001-03-07 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for substrate specificity of protein-tyrosine phosphatase SHP-1. J.Biol.Chem., 275, 2000
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3EAX
| Crystal structure PTP1B complex with small molecule compound LZP-6 | 分子名称: | 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q. | 登録日 | 2008-08-26 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors. J.Am.Chem.Soc., 130, 2008
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3EU0
| Crystal structure of the S-nitrosylated Cys215 of PTP1B | 分子名称: | Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Chu, H.M, Wang, A.H.J, Chen, Y.Y, Pan, K.T, Wang, D.L, Khoo, K.H, Meng, T.C. | 登録日 | 2008-10-09 | 公開日 | 2008-11-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cysteine S-Nitrosylation Protects Protein-tyrosine Phosphatase 1B against Oxidation-induced Permanent Inactivation J.Biol.Chem., 283, 2008
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1G7F
| HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177496 | 分子名称: | 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | 著者 | Bleasdale, J.E, Ogg, D, Larsen, S.D. | 登録日 | 2000-11-10 | 公開日 | 2001-06-06 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action. Biochemistry, 40, 2001
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3EB1
| Crystal structure PTP1B complex with small molecule inhibitor LZP-25 | 分子名称: | 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y. | 登録日 | 2008-08-26 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors. J.Am.Chem.Soc., 130, 2008
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1G1H
| CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH A BIS-PHOSPHORYLATED PEPTIDE (ETD(PTR)(PTR)RKGGKGLL) FROM THE INSULIN RECEPTOR KINASE | 分子名称: | BI-PHOSPHORYLATED PEPTIDE FROM THE INSULIN RECEPTOR KINASE, PROTEIN TYROSINE PHOSPHATASE 1B | 著者 | Salmeen, A, Andersen, J.N, Myers, M.P, Tonks, N.K, Barford, D. | 登録日 | 2000-10-11 | 公開日 | 2001-01-17 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Molecular basis for the dephosphorylation of the activation segment of the insulin receptor by protein tyrosine phosphatase 1B. Mol.Cell, 6, 2000
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