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1SPR
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BU of 1spr by Molmil
BINDING OF A HIGH AFFINITY PHOSPHOTYROSYL PEPTIDE TO THE SRC SH2 DOMAIN: CRYSTAL STRUCTURES OF THE COMPLEXED AND PEPTIDE-FREE FORMS
Descriptor: PHOSPHATE ION, SRC TYROSINE KINASE SH2 DOMAIN
Authors:Waksman, G, Kuriyan, J.
Deposit date:1993-03-05
Release date:1994-05-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding of a high affinity phosphotyrosyl peptide to the Src SH2 domain: crystal structures of the complexed and peptide-free forms.
Cell(Cambridge,Mass.), 72, 1993
4L23
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BU of 4l23 by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
Descriptor: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-04
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4OHE
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BU of 4ohe by Molmil
LEOPARD Syndrome-Associated SHP2/G464A mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
8TSA
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BU of 8tsa by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 2
Descriptor: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
3QWY
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BU of 3qwy by Molmil
CED-2
Descriptor: Cell death abnormality protein 2, GLYCEROL, SULFATE ION
Authors:Kang, Y, Sun, J, Liu, Y, Sun, D, Hu, Y, Liu, Y.F.
Deposit date:2011-02-28
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of the cell corpse engulfment protein CED-2 in Caenorhabditis elegans.
Biochem.Biophys.Res.Commun., 410, 2011
4X6S
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BU of 4x6s by Molmil
Grb7 SH2 domain with phosphotyrosine mimetic inhibitor peptide
Descriptor: Growth factor receptor-bound protein 7, Phosphotyrosine mimetic inhibitor peptide G7-TEM1
Authors:Watson, G.M, Panjikar, S, Wilce, M.C, Wilce, J.A.
Deposit date:2014-12-09
Release date:2015-09-23
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
7MP3
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BU of 7mp3 by Molmil
Grb7-SH2 domain in complex with bicyclic peptide B8
Descriptor: Growth factor receptor-bound protein 7, bicyclic peptide B8
Authors:Colson, R, Wilce, M.C.J, Wilce, J.A.
Deposit date:2021-05-04
Release date:2022-02-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability.
Biomedicines, 10, 2022
7UY0
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BU of 7uy0 by Molmil
Crystal structure of human Fgr tyrosine kinase in complex with A-419259
Descriptor: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Du, S, Alvarado, J.J, Smithgall, T.E.
Deposit date:2022-05-06
Release date:2022-12-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:ATP-site inhibitors induce unique conformations of the acute myeloid leukemia-associated Src-family kinase, Fgr.
Structure, 30, 2022
2IZV
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BU of 2izv by Molmil
CRYSTAL STRUCTURE OF SOCS-4 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 2.55A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Debreczeni, J.E, Bullock, A, Papagrigoriou, E, Turnbull, A, Pike, A.C.W, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation.
Structure, 15, 2007
5XGI
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BU of 5xgi by Molmil
Crystal structure of PI3K complex with an inhibitor
Descriptor: 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Song, K, Yang, X, Zhao, Y, Jian, Z.
Deposit date:2017-04-13
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Crystal structure of PI3K complex with an inhibitor
To Be Published
4E68
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BU of 4e68 by Molmil
Unphosphorylated STAT3B core protein binding to dsDNA
Descriptor: DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3
Authors:Collie, G.W, Parkinson, G.N, Shah, R.
Deposit date:2012-03-15
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.585 Å)
Cite:Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography.
Febs Lett., 587, 2013
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-03
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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
1AD5
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BU of 1ad5 by Molmil
SRC FAMILY KINASE HCK-AMP-PNP COMPLEX
Descriptor: CALCIUM ION, HAEMATOPOETIC CELL KINASE HCK, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Sicheri, F, Moarefi, I, Kuriyan, J.
Deposit date:1997-02-20
Release date:1997-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the Src family tyrosine kinase Hck.
Nature, 385, 1997
4XI2
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BU of 4xi2 by Molmil
Crystal Structure of an auto-inhibited form of Bruton's Tryrosine Kinase
Descriptor: GOLD ION, Tyrosine-protein kinase BTK
Authors:Vogan, E.M, Harrison, S.C.
Deposit date:2015-01-06
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
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
5D0J
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BU of 5d0j by Molmil
Grb7 SH2 with inhibitor peptide
Descriptor: G7-TEdFP peptide, Growth factor receptor-bound protein 7, PHOSPHATE ION
Authors:Gunzburg, M.J, Watson, G.M, Wilce, J.A, Wilce, M.C.J.
Deposit date:2015-08-03
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Sci Rep, 6, 2016
3CXL
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BU of 3cxl by Molmil
Crystal structure of human chimerin 1 (CHN1)
Descriptor: N-chimerin, UNKNOWN ATOM OR ION, ZINC ION
Authors:Shen, L, Buck, M, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-04-24
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human chimerin 1 (CHN1).
To be Published
2OZO
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BU of 2ozo by Molmil
Autoinhibited intact human ZAP-70
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase ZAP-70
Authors:Deindl, S, Kadlecek, T.A, Brdicka, T, Cao, X, Weiss, A, Kuriyan, J.
Deposit date:2007-02-26
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for the Inhibition of Tyrosine Kinase Activity of ZAP-70.
Cell(Cambridge,Mass.), 129, 2007
7ZLN
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BU of 7zln by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
1G83
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BU of 1g83 by Molmil
CRYSTAL STRUCTURE OF FYN SH3-SH2
Descriptor: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FYN
Authors:Arold, S.T, Ulmer, T.S, Mulhern, T.D, Werner, J.M, Ladbury, J.E, Campbell, I.D, Noble, M.E.M.
Deposit date:2000-11-16
Release date:2001-05-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The role of the Src homology 3-Src homology 2 interface in the regulation of Src kinases.
J.Biol.Chem., 276, 2001
1RQQ
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BU of 1rqq by Molmil
Crystal Structure of the Insulin Receptor Kinase in Complex with the SH2 Domain of APS
Descriptor: BISUBSTRATE INHIBITOR, Insulin receptor, MANGANESE (II) ION, ...
Authors:Hu, J, Liu, J, Ghirlando, R, Saltiel, A.R, Hubbard, S.R.
Deposit date:2003-12-06
Release date:2003-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for recruitment of the adaptor protein APS to the activated insulin receptor.
Mol.Cell, 12, 2003
5X94
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BU of 5x94 by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_D peptide complex
Descriptor: Cag pathogenicity island protein, Tyrosine-protein phosphatase non-receptor type 11
Authors:Senda, M, Senda, T.
Deposit date:2017-03-05
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017
5CDW
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BU of 5cdw by Molmil
Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide
Descriptor: Growth factor receptor-bound protein 2, SER-PTR-VAL-ASN-VAL-GLN
Authors:Papaioannou, D, Geibel, S, Kunze, M, Kay, C, Waksman, G.
Deposit date:2015-07-05
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structural and biophysical investigation of the interaction of a mutant Grb2 SH2 domain (W121G) with its cognate phosphopeptide.
Protein Sci., 25, 2016
5EG3
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BU of 5eg3 by Molmil
Crystal Structure of the Activated FGF Receptor 2 (FGFR2) Kinase Domain in complex with the cSH2 domain of Phospholipase C gamma (PLCgamma)
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Fibroblast growth factor receptor 2, MAGNESIUM ION, ...
Authors:Huang, Z, Li, X, Mohammadi, M.
Deposit date:2015-10-26
Release date:2016-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Two FGF Receptor Kinase Molecules Act in Concert to Recruit and Transphosphorylate Phospholipase C gamma.
Mol.Cell, 61, 2016

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