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1AYB
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CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE
Descriptor: PEPTIDE IRS-1-895, PROTEIN-TYROSINE PHOSPHATASE SYP (N-TERMINAL SH2 DOMAIN)
Authors:Lee, C.-H, Kuriyan, J.
Deposit date:1994-05-15
Release date:1994-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of peptide complexes of the amino-terminal SH2 domain of the Syp tyrosine phosphatase.
Structure, 2, 1994
1AOT
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NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, MINIMIZED AVERAGE STRUCTURE
Descriptor: FYN PROTEIN-TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE
Authors:Mulhern, T.D, Shaw, G.L, Morton, C.J, Day, A.J, Campbell, I.D.
Deposit date:1997-07-10
Release date:1998-01-14
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The SH2 domain from the tyrosine kinase Fyn in complex with a phosphotyrosyl peptide reveals insights into domain stability and binding specificity.
Structure, 5, 1997
1AYC
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CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE
Descriptor: PEPTIDE PDGFR-740, PROTEIN-TYROSINE PHOSPHATASE SYP (N-TERMINAL SH2 DOMAIN)
Authors:Lee, C.-H, Kuriyan, J.
Deposit date:1994-05-15
Release date:1994-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of peptide complexes of the amino-terminal SH2 domain of the Syp tyrosine phosphatase.
Structure, 2, 1994
1AYA
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BU of 1aya by Molmil
CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE
Descriptor: PEPTIDE PDGFR-1009, PROTEIN-TYROSINE PHOSPHATASE SYP (N-TERMINAL SH2 DOMAIN)
Authors:Lee, C.-H, Kuriyan, J.
Deposit date:1994-05-15
Release date:1994-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of peptide complexes of the amino-terminal SH2 domain of the Syp tyrosine phosphatase.
Structure, 2, 1994
1BHF
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BU of 1bhf by Molmil
P56LCK SH2 DOMAIN INHIBITOR COMPLEX
Descriptor: INHIBITOR ACE-IPA-GLU-GLU-ILE, T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK
Authors:Tong, L, Warren, T.C, Lukas, S, Schembri-King, J, Betageri, R, Proudfoot, J.R, Jakes, S.
Deposit date:1998-06-08
Release date:1998-10-21
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carboxymethyl-phenylalanine as a replacement for phosphotyrosine in SH2 domain binding.
J.Biol.Chem., 273, 1998
1BFJ
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SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: P85 ALPHA
Authors:Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C.
Deposit date:1997-11-18
Release date:1998-02-25
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase.
J.Mol.Biol., 276, 1998
1AOU
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BU of 1aou by Molmil
NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES
Descriptor: FYN PROTEIN-TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE
Authors:Mulhern, T.D, Shaw, G.L, Morton, C.J, Day, A.J, Campbell, I.D.
Deposit date:1997-07-10
Release date:1998-01-14
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The SH2 domain from the tyrosine kinase Fyn in complex with a phosphotyrosyl peptide reveals insights into domain stability and binding specificity.
Structure, 5, 1997
1BFI
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SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, 30 STRUCTURES
Descriptor: P85 ALPHA
Authors:Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C.
Deposit date:1997-11-18
Release date:1998-02-25
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase.
J.Mol.Biol., 276, 1998
1BHH
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BU of 1bhh by Molmil
FREE P56LCK SH2 DOMAIN
Descriptor: P56 LCK TYROSINE KINASE SH2 DOMAIN, T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK
Authors:Tong, L, Warren, T.C, Lukas, S, Schembri-King, J, Betageri, R, Proudfoot, J.R, Jakes, S.
Deposit date:1998-06-08
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carboxymethyl-phenylalanine as a replacement for phosphotyrosine in SH2 domain binding.
J.Biol.Chem., 273, 1998
1AYD
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BU of 1ayd by Molmil
CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE
Descriptor: PROTEIN-TYROSINE PHOSPHATASE SYP (N-TERMINAL SH2 DOMAIN)
Authors:Lee, C.-H, Kuriyan, J.
Deposit date:1994-05-15
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of peptide complexes of the amino-terminal SH2 domain of the Syp tyrosine phosphatase.
Structure, 2, 1994
1BLJ
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BU of 1blj by Molmil
NMR ENSEMBLE OF BLK SH2 DOMAIN, 20 STRUCTURES
Descriptor: P55 BLK PROTEIN TYROSINE KINASE
Authors:Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T.
Deposit date:1996-03-26
Release date:1997-03-12
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996
1BMB
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BU of 1bmb by Molmil
GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974)
Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2), PROTEIN (PKF270-974)
Authors:Rondeau, J.M, Zurini, M.
Deposit date:1998-07-23
Release date:1998-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and conformational requirements for high-affinity binding to the SH2 domain of Grb2(1).
J.Med.Chem., 42, 1999
1BM2
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BU of 1bm2 by Molmil
GRB2-SH2 DOMAIN IN COMPLEX WITH CYCLO-[N-ALPHA-ACETYL-L-THI ALYSYL-O-PHOSPHOTYROSYL-VALYL-ASPARAGYL-VALYL-PROLYL] (PKF273-791)
Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2), PROTEIN (PKF273-791)
Authors:Rondeau, J.M, Zurini, M.
Deposit date:1998-07-27
Release date:1998-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and conformational requirements for high-affinity binding to the SH2 domain of Grb2(1).
J.Med.Chem., 42, 1999
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
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
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
2Y3A
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BU of 2y3a by Molmil
Crystal structure of p110beta in complex with icSH2 of p85beta and the drug GDC-0941
Descriptor: 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT BETA ISOFORM
Authors:Zhang, X, Vadas, O, Perisic, O, Williams, R.L.
Deposit date:2010-12-20
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of Lipid Kinase P110Beta-P85Beta Elucidates an Unusual Sh2-Domain-Mediated Inhibitory Mechanism.
Mol.Cell, 41, 2011
7M6T
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BU of 7m6t by Molmil
Crystal structure of SOCS2/ElonginB/ElonginC bound to a non-canonical peptide that enhances phospho-peptide binding
Descriptor: Elongin-B, Elongin-C, Non-canonical peptide F3, ...
Authors:Kershaw, N.J, Li, K, Linossi, E.M, Nicholson, S.E.
Deposit date:2021-03-26
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Discovery of an exosite on the SOCS2-SH2 domain that enhances SH2 binding to phosphorylated ligands.
Nat Commun, 12, 2021
6NCT
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BU of 6nct by Molmil
Structure of p110alpha/niSH2 - vector data collection
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
Authors:Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2018-12-12
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-01-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
6NUQ
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BU of 6nuq by Molmil
Stat3 Core in complex with compound SI109
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-02-01
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
5M6U
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BU of 5m6u by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH LASW1579
Descriptor: 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A.
Deposit date:2016-10-26
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5MO4
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ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
Descriptor: Nilotinib, Tyrosine-protein kinase ABL1, asciminib
Authors:Cowan-Jacob, S.W.
Deposit date:2016-12-13
Release date:2017-04-05
Last modified:2017-04-12
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.
Nature, 543, 2017
8GUB
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BU of 8gub by Molmil
Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-09-11
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022

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