7MPC
 
 | | Structure of SsoPTP bound to vanadate | | Descriptor: | SsoPTP, VANADATE ION | | Authors: | Pinkston, J.A, Olsen, K.J, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2021-05-04 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality.
Biochemistry, 60, 2021
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7MPD
 | | Structure of SsoPTP bound to 2-chloroethylsulfonate | | Descriptor: | 2-chloroethane-1-sulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SsoPTP | | Authors: | Pinkston, J.A, Olsen, K.J, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2021-05-04 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality.
Biochemistry, 60, 2021
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7F5O
 | | Crystal structure of PTPN2 catalytic domain | | Descriptor: | IODIDE ION, Tyrosine-protein phosphatase non-receptor type 2 | | Authors: | Singh, J.P, Lin, M.-J, Hsu, S.-F, Lee, C.-C, Meng, T.-C. | | Deposit date: | 2021-06-22 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of TCPTP Unravels an Allosteric Regulatory Role of Helix alpha 7 in Phosphatase Activity.
Biochemistry, 60, 2021
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7F5N
 | | Crystal structure of TCPTP catalytic domain | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 2 | | Authors: | Singh, J.P, Lin, M.-J, Hsu, S.-F, Lee, C.-C, Meng, T.-C. | | Deposit date: | 2021-06-22 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure of TCPTP Unravels an Allosteric Regulatory Role of Helix alpha 7 in Phosphatase Activity.
Biochemistry, 60, 2021
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7R7I
 | | 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
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7R75
 | | 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
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7R7L
 | | 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
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7R7D
 | | 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
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7RCT
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7RIN
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7S4F
 | | Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Brandao, T.A.S, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
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7PPL
 | | SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636) | | Descriptor: | ETHANOL, GLYCEROL, Insulin receptor substrate 1, ... | | Authors: | Sok, P, Zeke, A, Remenyi, A. | | Deposit date: | 2021-09-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | 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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7PPM
 | | SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896) | | Descriptor: | GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Sok, P, Zeke, A, Remenyi, A. | | Deposit date: | 2021-09-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | 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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7PPN
 | | SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195) | | Descriptor: | GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Sok, P, Zeke, A, Remenyi, A. | | Deposit date: | 2021-09-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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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7VXG
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7TVJ
 | | Crystal Structure of Monobody Mb(SHP2PTP_13)/SHP2 PTP Domain Complex | | Descriptor: | CITRATE ANION, Mb(SHP2PTP_13), Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Sha, F, Koide, S. | | Deposit date: | 2022-02-05 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Monobody Inhibitor Selective to the Phosphatase Domain of SHP2 and its Use as a Probe for Quantifying SHP2 Allosteric Regulation.
J.Mol.Biol., 435, 2023
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7UAD
 | | Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484 | | Descriptor: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2 | | Authors: | Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M. | | Deposit date: | 2022-03-12 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.044 Å) | | Cite: | The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity.
Nature, 622, 2023
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7XC0
 | | Crystal structure of Human RPTPH | | Descriptor: | PHOSPHATE ION, Receptor-type tyrosine-protein phosphatase H | | Authors: | Kim, M, Ryu, S.E. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of the catalytic domain of human RPTPH.
Acta Crystallogr.,Sect.F, 78, 2022
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7XHQ
 | | 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
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8CT8
 | | Crystal structure of Drosophila melanogaster PRL/CBS-pair domain complex | | Descriptor: | IODIDE ION, PRL-1 phosphatase, Unextended protein | | Authors: | Fakih, R, Goldstein, R.H, Kozlov, G, Gehring, K. | | Deposit date: | 2022-05-13 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Burst kinetics and CNNM binding are evolutionarily conserved properties of phosphatases of regenerating liver.
J.Biol.Chem., 299, 2023
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8DU7
 | | Room-temperature serial synchrotron crystallography (SSX) structure of apo PTP1B | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Sharma, S, Keedy, D.A. | | Deposit date: | 2022-07-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 79, 2023
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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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8GWW
 | | Small-molecule Allosteric Regulation Mechanism of SHP2 | | Descriptor: | 2-[4-(aminomethyl)-4-methyl-piperidin-1-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: | 2022-09-17 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Small-molecule Allosteric Regulation Mechanism of SHP2
To Be Published
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8GWH
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8GXE
 | | PTPN21 FERM PTP complex | | Descriptor: | CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21 | | Authors: | Chen, L, Zheng, Y.Y, Zhou, C. | | Deposit date: | 2022-09-19 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (3 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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