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5K24
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Crystal structure of the complex between phosphatase PRL-2 in the oxidized state with the Bateman domain of murine magnesium transporter CNNM3
Descriptor: CITRATE ANION, Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2
Authors:Kozlov, G, Gulerez, I, Gehring, K.
Deposit date:2016-05-18
Release date:2016-10-12
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
1G4W
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CRYSTAL STRUCTURE OF THE SALMONELLA TYROSINE PHOSPHATASE AND GTPASE ACTIVATING PROTEIN SPTP
Descriptor: PROTEIN TYROSINE PHOSPHATASE SPTP
Authors:Stebbins, C.E, Galan, J.E.
Deposit date:2000-10-28
Release date:2001-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Modulation of host signaling by a bacterial mimic: structure of the Salmonella effector SptP bound to Rac1.
Mol.Cell, 6, 2000
2B4S
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BU of 2b4s by Molmil
Crystal structure of a complex between PTP1B and the insulin receptor tyrosine kinase
Descriptor: Insulin receptor, SULFATE ION, Tyrosine-protein phosphatase, ...
Authors:Li, S, Depetris, R.S, Barford, D, Chernoff, J, Hubbard, S.R.
Deposit date:2005-09-26
Release date:2005-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Complex between Protein Tyrosine Phosphatase 1B and the Insulin Receptor Tyrosine Kinase.
Structure, 13, 2005
8CBH
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BU of 8cbh by Molmil
SHP2 in complex with a novel allosteric inhibitor
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
Authors:di Fabio, R, Petrocchi, A.
Deposit date:2023-01-25
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
5BK8
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BU of 5bk8 by Molmil
Cancer-associated SHP2/T507K mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Zhang, Z.Y.
Deposit date:2019-06-01
Release date:2020-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2.
J.Biol.Chem., 295, 2020
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
Deposit date:2021-04-14
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
8B5Y
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SHP2 in complex with allosteric imidazopyrazine inhibitor
Descriptor: (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11
Authors:Torrente, E, Petrocchi, A.
Deposit date:2022-09-25
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
7XHQ
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BU of 7xhq by Molmil
Small-molecule Allosteric Regulation Mechanism of SHP2
Descriptor: 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, Y, Zhu, J, Yu, K, Liu, B.
Deposit date:2022-04-09
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
Descriptor: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
7VXG
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BU of 7vxg by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453
Descriptor: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Li, T.H, Guo, H.T, Ji, X.Y.
Deposit date:2021-11-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis.
Iscience, 25, 2022
5I6V
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BU of 5i6v by Molmil
Structure of F285S, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
Descriptor: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Xu, X, Blacklow, S.C.
Deposit date:2016-02-16
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
5IBS
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BU of 5ibs by Molmil
Structure of E76Q, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R.
Deposit date:2016-02-22
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
5IBM
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BU of 5ibm by Molmil
Structure of S502P, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R.
Deposit date:2016-02-22
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
8T7Q
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BU of 8t7q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-21
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T8Q
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BU of 8t8q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-23
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
7RCT
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BU of 7rct by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor RMC-4550
Descriptor: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 11, {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
Authors:Seegar, T.C.M.
Deposit date:2021-07-08
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeted Degradation of the Oncogenic Phosphatase SHP2.
Biochemistry, 60, 2021
7R75
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BU of 7r75 by Molmil
Structure of human SHP2 in complex with compound 16
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7D
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BU of 7r7d by Molmil
Structure of human SHP2 in complex with compound 22
Descriptor: 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7L
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BU of 7r7l by Molmil
Structure of human SHP2 in complex with compound 30
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7I
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BU of 7r7i by Molmil
Structure of human SHP2 in complex with compound 27
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
8U7X
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BU of 8u7x by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24
Descriptor: (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Mou, T.C.
Deposit date:2023-09-15
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8U7W
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BU of 8u7w by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7
Descriptor: 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Mou, T.C.
Deposit date:2023-09-15
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
9BLG
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BU of 9blg by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892
Descriptor: (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Bester, S.M, Wu, W.-I, Mou, T.-C.
Deposit date:2024-04-30
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy.
Cancer Discov, 13, 2023
8WFY
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BU of 8wfy by Molmil
The Crystal Structure of SHP2 from Biortus.
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-09-20
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of SHP2 from Biortus.
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223532

PDB entries from 2024-08-07

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