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9C54
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BU of 9c54 by Molmil
Crystal structure of human PTPN2 catalytic domain
Descriptor: Tyrosine-protein phosphatase non-receptor type 2
Authors:Bester, S.M, Linwood, R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-06-05
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Acta Crystallogr.,Sect.F, 80, 2024
9C55
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BU of 9c55 by Molmil
Crystal structure of human PTPN2 in complex with active site inhibitor
Descriptor: 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 2
Authors:Bester, S.M, Linwood, R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-06-05
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Enhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Acta Crystallogr.,Sect.F, 80, 2024
9C56
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BU of 9c56 by Molmil
Crystal structure of human PTPN2 in complex with allosteric inhibitor
Descriptor: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 2
Authors:Bester, S.M, Linwood, R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-06-05
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Enhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Acta Crystallogr.,Sect.F, 80, 2024
8U0H
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BU of 8u0h by Molmil
Crystal structure of PTPN2 with a PROTAC
Descriptor: (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, ACETATE ION, PTPN2, ...
Authors:Jain, R, Longenecker, K, Qiu, W.
Deposit date:2023-08-29
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.
Commun Chem, 7, 2024
9CYP
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BU of 9cyp by Molmil
Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYO
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BU of 9cyo by Molmil
Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYQ
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BU of 9cyq by Molmil
Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYR
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BU of 9cyr by Molmil
Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
8WX7
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BU of 8wx7 by Molmil
Crystal structure of SHP2 in complex with JAB-3186
Descriptor: (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Ma, C, Gao, P, Kang, D, Han, H, Sun, X, Zhang, W, Qian, D, Wang, Y, Long, W.
Deposit date:2023-10-27
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment.
J.Med.Chem., 67, 2024
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
8S0P
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BU of 8s0p by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0O
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BU of 8s0o by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.834 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0J
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BU of 8s0j by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8RZW
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BU of 8rzw by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S06
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BU of 8s06 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8RZY
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BU of 8rzy by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S07
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BU of 8s07 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S01
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BU of 8s01 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0I
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BU of 8s0i by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0Q
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BU of 8s0q by Molmil
A fragment-based inhibitor of SHP2
Descriptor: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0K
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BU of 8s0k by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0S
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BU of 8s0s by Molmil
A fragment-based inhibitor of SHP2
Descriptor: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S04
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BU of 8s04 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0H
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BU of 8s0h by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8YHI
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BU of 8yhi by Molmil
The Crystal Structure of SHP1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z.
Deposit date:2024-02-28
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Crystal Structure of SHP1 from Biortus.
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PDB entries from 2024-09-18

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