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5QG5
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000811b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-hydroxybenzonitrile, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QDZ
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BU of 5qdz by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000435a
分子名称: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QEA
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BU of 5qea by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000733a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(4-phenyloxan-4-yl)methyl]acetamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.743 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QES
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BU of 5qes by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000141a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-(4-chlorophenyl)methanesulfonamide
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QF2
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BU of 5qf2 by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000187a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QFL
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BU of 5qfl by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000206a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.824 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6MD7
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BU of 6md7 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
分子名称: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDB
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BU of 6mdb by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDC
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
分子名称: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MD9
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
分子名称: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDA
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BU of 6mda by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
分子名称: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
分子名称: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6IWD
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BU of 6iwd by Molmil
The PTP domain of human PTPN14 in a complex with the CR3 domain of HPV18 E7
分子名称: CHLORIDE ION, HPV18 E7, PHOSPHATE ION, ...
著者Yun, H.-Y, Kim, S.J, Ku, B.
登録日2018-12-05
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus.
Plos Biol., 17, 2019
6J6U
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BU of 6j6u by Molmil
Rat PTPRZ D1-D2 domain
分子名称: Receptor-type tyrosine-protein phosphatase zeta
著者Sugawara, H.
登録日2019-01-15
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献A head-to-toe dimerization has physiological relevance for ligand-induced inactivation of protein tyrosine receptor type Z.
J.Biol.Chem., 294, 2019
6NTP
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BU of 6ntp by Molmil
PTP1B Domain of PTP1B-LOV2 Chimera
分子名称: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1
著者Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M.
登録日2019-01-30
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Minimally disruptive optical control of protein tyrosine phosphatase 1B.
Nat Commun, 11, 2020
6OL4
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BU of 6ol4 by Molmil
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
6OLQ
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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
6OLV
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BU of 6olv by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P185A 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2019-04-17
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
6OMY
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BU of 6omy by Molmil
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
5BK8
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BU of 5bk8 by Molmil
Cancer-associated SHP2/T507K mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Zhang, Z.Y.
登録日2019-06-01
公開日2020-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2.
J.Biol.Chem., 295, 2020
6PFW
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BU of 6pfw by Molmil
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
6PG0
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BU of 6pg0 by Molmil
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
6PGT
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BU of 6pgt by Molmil
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
6PHA
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BU of 6pha by Molmil
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
6PHS
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BU of 6phs by Molmil
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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件を2024-06-12に公開中

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