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3HIZ
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BU of 3hiz by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-20
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
7NUF
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BU of 7nuf by Molmil
Vaccinia virus protein 018 in complex with STAT1
Descriptor: ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ...
Authors:Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M.
Deposit date:2021-03-12
Release date:2021-07-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.0004015 Å)
Cite:Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling.
Cell Host Microbe, 30, 2022
3GQI
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BU of 3gqi by Molmil
Crystal Structure of activated receptor tyrosine kinase in complex with substrates
Descriptor: Basic fibroblast growth factor receptor 1, DECAVANADATE, MAGNESIUM ION, ...
Authors:Bae, J.H, Lew, E.D, Yuzawa, S, Tome, F, Lax, I, Schlessinger, J.
Deposit date:2009-03-24
Release date:2009-08-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The selectivity of receptor tyrosine kinase signaling is controlled by a secondary SH2 domain binding site.
Cell(Cambridge,Mass.), 138, 2009
8DCP
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BU of 8dcp by Molmil
PI 3-kinase alpha with nanobody 3-126
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD4
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BU of 8dd4 by Molmil
PI 3-kinase alpha with nanobody 3-142
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D3F
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BU of 8d3f by Molmil
Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST
Descriptor: Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST
Authors:Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D.
Deposit date:2022-06-01
Release date:2022-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment.
Nat Commun, 13, 2022
8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DCX
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BU of 8dcx by Molmil
PI 3-kinase alpha with nanobody 3-159
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DGQ
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BU of 8dgq by Molmil
Crystal structure of p120RasGAP SH2-SH3-SH2 in complex with p190RhoGAP doubly phosphorylated peptide
Descriptor: MALONATE ION, Ras GTPase-activating protein 1, Rho GTPase-activating protein 35
Authors:Stiegler, A.L, Vish, K.J, Boggon, T.J.
Deposit date:2022-06-24
Release date:2022-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tandem engagement of phosphotyrosines by the dual SH2 domains of p120RasGAP.
Structure, 30, 2022
8DGO
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BU of 8dgo by Molmil
Growth Factor Receptor-Bound Protein 2 (Grb2) bound to phosphorylated PEAK3 (pY24) peptide
Descriptor: Growth factor receptor bound protein 2, Phosphorylated PEAK3 (pY24) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
1X27
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BU of 1x27 by Molmil
Crystal Structure of Lck SH2-SH3 with SH2 binding site of p130Cas
Descriptor: CRK-associated substrate, Proto-oncogene tyrosine-protein kinase LCK, SODIUM ION
Authors:Nasertorabi, F, Tars, K, Becherer, K, Kodandapani, R, Liljas, L, Vuori, K, Ely, K.R.
Deposit date:2005-04-20
Release date:2006-02-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for regulation of Src by the docking protein p130Cas
J.MOL.RECOG., 19, 2006
1UUS
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BU of 1uus by Molmil
Structure of an activated Dictyostelium STAT in its DNA-unbound form
Descriptor: STAT PROTEIN
Authors:Soler-Lopez, M, Petosa, C, Fukuzawa, M, Ravelli, R, Williams, J.G, Muller, C.W.
Deposit date:2004-01-09
Release date:2004-03-26
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of an Activated Dictyostelium Stat in its DNA-Unbound Form
Mol.Cell, 13, 2004
1UUR
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BU of 1uur by Molmil
Structure of an activated Dictyostelium STAT in its DNA-unbound form
Descriptor: STATA PROTEIN
Authors:Soler-Lopez, M, Petosa, C, Fukuzawa, M, Ravelli, R, Williams, J.G, Muller, C.W.
Deposit date:2004-01-09
Release date:2004-03-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of an Activated Dictyostelium Stat in its DNA-Unbound Form
Mol.Cell, 13, 2004
1XA6
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BU of 1xa6 by Molmil
Crystal Structure of the Human Beta2-Chimaerin
Descriptor: Beta2-chimaerin, ZINC ION
Authors:Canagarajah, B, Leskow, F.C, Ho, J.Y, Mischak, H, Saidi, L.F, Kazanietz, M.G, Hurley, J.H.
Deposit date:2004-08-25
Release date:2004-11-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural mechanism for lipid activation of the Rac-specific GAP, beta2-chimaerin.
Cell(Cambridge,Mass.), 119, 2004
6MDC
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BU of 6mdc by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
Descriptor: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MBW
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BU of 6mbw by Molmil
Structure of Transcription Factor
Descriptor: Signal transducer and activator of transcription 5B
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2018-08-30
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural and functional consequences of the STAT5BN642H driver mutation.
Nat Commun, 10, 2019
6MBZ
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BU of 6mbz by Molmil
Structure of Transcription Factor
Descriptor: Signal transducer and activator of transcription 5B
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2018-08-30
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural and functional consequences of the STAT5BN642Hdriver mutation.
Nat Commun, 10, 2019
6MDA
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BU of 6mda by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
Descriptor: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MD7
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BU of 6md7 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
Descriptor: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MD9
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BU of 6md9 by Molmil
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
Descriptor: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDB
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BU of 6mdb by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
8V8U
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BU of 8v8u by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12).
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, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8XN8
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BU of 8xn8 by Molmil
The Crystal Structure of SRC from Biortus.
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C.
Deposit date:2023-12-29
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of SRC from Biortus.
To Be Published
8V8H
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BU of 8v8h by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4).
Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-05
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024

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