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7GTC
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BU of 7gtc by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00001145b
Descriptor: 1-phenylmethoxyurea, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:PanDDA Analysis group deposition
To Be Published
7GT2
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BU of 7gt2 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000752b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [(4-chlorophenyl)sulfanyl]acetic acid
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PanDDA Analysis group deposition
To Be Published
7GTQ
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BU of 7gtq by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000311a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:PanDDA Analysis group deposition
To Be Published
7GTU
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BU of 7gtu by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000297a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:PanDDA Analysis group deposition
To Be Published
7GTP
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BU of 7gtp by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000688a
Descriptor: (4-acetylphenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:PanDDA Analysis group deposition
To Be Published
7GTV
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BU of 7gtv by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000765c
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9~{H}-xanthene-9-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:PanDDA Analysis group deposition
To Be Published
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
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.
To Be Published
8T6G
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Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nugyen, V, Wilbur, J.D.
Deposit date:2023-06-15
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T6D
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BU of 8t6d by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-15
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 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
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
8U1E
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BU of 8u1e by Molmil
Apo protein tyrosine phosphatase 1B (PTP1B) at high resolution (1.43 A) in space group P43212 with two distinctly ordered chains
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Sharma, S, Mehlman, S.T, Keedy, A.D.
Deposit date:2023-08-31
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:High-resolution double vision of the allosteric phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 80, 2024
8GXE
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BU of 8gxe by Molmil
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
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure analysis of PTPN21
To Be Published
8GWW
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BU of 8gww by Molmil
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
8GWH
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BU of 8gwh by Molmil
PTPN21 PTP domain C1108S mutant in complex with SRC pTyr530 peptide
Descriptor: SRC pTyr530 peptide, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-17
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure analysis of PTPN21
To Be Published
8GVV
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BU of 8gvv by Molmil
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
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure analysis of PTPN21
To Be Published
8EYC
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BU of 8eyc by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with TYK2 activation loop phosphopeptide
Descriptor: Non-receptor tyrosine-protein kinase TYK2 activation loop phosphopeptide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8SKL
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BU of 8skl by Molmil
PTP1B in complex with 182
Descriptor: 1,2-ETHANEDIOL, 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, ...
Authors:Babon, J.J, Chen, H, Tiganis, T.
Deposit date:2023-04-20
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A small molecule inhibitor of PTP1B and PTPN2 enhances T cell anti-tumor immunity.
Nat Commun, 14, 2023
7UAD
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BU of 7uad by Molmil
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
8EYB
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BU of 8eyb by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2 activation loop phosphopeptide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXN
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BU of 8exn by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with TYK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-receptor tyrosine-protein kinase TYK2 activation loop peptide, PHOSPHATE ION, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXI
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BU of 8exi by Molmil
Crystal structure of apo PTP1B D181A/Q262A phosphatase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EYA
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BU of 8eya by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023

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PDB entries from 2024-03-27

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