4U17
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![BU of 4u17 by Molmil](/molmil-images/mine/4u17) | Swapped dimer of the human Fyn-SH2 domain | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Tyrosine-protein kinase Fyn | Authors: | Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J. | Deposit date: | 2014-07-15 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Swapped dimer of the human Fyn-SH2 domain To Be Published
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4U1P
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![BU of 4u1p by Molmil](/molmil-images/mine/4u1p) | Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide | Descriptor: | Middle T antigen, POLYETHYLENE GLYCOL (N=34), SODIUM ION, ... | Authors: | Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J. | Deposit date: | 2014-07-16 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide To Be Published
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4U5W
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![BU of 4u5w by Molmil](/molmil-images/mine/4u5w) | Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Protein Nef, ... | Authors: | Alvarado, J.J, Yeh, J.I, Smithgall, T.E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Interaction with the Src Homology (SH3-SH2) Region of the Src-family Kinase Hck Structures the HIV-1 Nef Dimer for Kinase Activation and Effector Recruitment. J.Biol.Chem., 289, 2014
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4WAF
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![BU of 4waf by Molmil](/molmil-images/mine/4waf) | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | Descriptor: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2014-08-29 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Acs Med.Chem.Lett., 6, 2015
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4ROJ
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![BU of 4roj by Molmil](/molmil-images/mine/4roj) | Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide | Descriptor: | Guanine nucleotide exchange factor VAV2, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-10-28 | Release date: | 2014-12-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide TO BE PUBLISHED
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4WWQ
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![BU of 4wwq by Molmil](/molmil-images/mine/4wwq) | Apo structure of the Grb7 SH2 domain | Descriptor: | Growth factor receptor-bound protein 7, MALONIC ACID | Authors: | Watson, G.M, Ambaye, N.D, Wilce, M.C, Wilce, J.A. | Deposit date: | 2014-11-12 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target. J.Med.Chem., 58, 2015
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4X6S
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![BU of 4x6s by Molmil](/molmil-images/mine/4x6s) | 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
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4XEY
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![BU of 4xey by Molmil](/molmil-images/mine/4xey) | |
4XI2
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![BU of 4xi2 by Molmil](/molmil-images/mine/4xi2) | |
4XZ1
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![BU of 4xz1 by Molmil](/molmil-images/mine/4xz1) | ZAP-70-tSH2:Compound-B adduct | Descriptor: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide | Authors: | Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R. | Deposit date: | 2015-02-03 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Biochem. J., 465, 2015
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4XZ0
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![BU of 4xz0 by Molmil](/molmil-images/mine/4xz0) | ZAP-70-tSH2:compound-A complex | Descriptor: | 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone, SULFATE ION, Tyrosine-protein kinase ZAP-70 | Authors: | Barros, T, Kuriyan, J, Visperas, P.R, Winger, J.A. | Deposit date: | 2015-02-03 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Biochem. J., 465, 2015
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4Y5U
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![BU of 4y5u by Molmil](/molmil-images/mine/4y5u) | Transcription factor | Descriptor: | NICKEL (II) ION, Signal transducer and activator of transcription 6 | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | Deposit date: | 2015-02-12 | Release date: | 2016-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | Structural basis for DNA recognition by STAT6 Proc.Natl.Acad.Sci.USA, 113, 2016
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4Y5W
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![BU of 4y5w by Molmil](/molmil-images/mine/4y5w) | Transcription factor-DNA complex | Descriptor: | DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6 | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | Deposit date: | 2015-02-12 | Release date: | 2016-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Structural basis for DNA recognition by STAT6 Proc.Natl.Acad.Sci.USA, 113, 2016
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4YKN
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![BU of 4ykn by Molmil](/molmil-images/mine/4ykn) | Pi3K alpha lipid kinase with Active Site Inhibitor | Descriptor: | 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein | Authors: | Elkins, P.A. | Deposit date: | 2015-03-04 | Release date: | 2015-06-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT). Acs Med.Chem.Lett., 6, 2015
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4Z32
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![BU of 4z32 by Molmil](/molmil-images/mine/4z32) | |
5AUL
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![BU of 5aul by Molmil](/molmil-images/mine/5aul) | PI3K p85 C-terminal SH2 domain/CD28-derived peptide complex | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, T-cell-specific surface glycoprotein CD28 | Authors: | Inaba, S, Numoto, N, Morii, H, Ikura, T, Oda, M, Ito, N. | Deposit date: | 2015-04-28 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins J. Biol. Chem., 292, 2017
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4ZOP
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![BU of 4zop by Molmil](/molmil-images/mine/4zop) | Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor | Descriptor: | (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2015-05-06 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Co-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitorCo-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor To Be Published
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5BO4
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![BU of 5bo4 by Molmil](/molmil-images/mine/5bo4) | Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals | Descriptor: | Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2 | Authors: | Gadd, M.S, Bulatov, E, Ciulli, A. | Deposit date: | 2015-05-27 | Release date: | 2015-07-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases. Plos One, 10, 2015
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5CDW
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![BU of 5cdw by Molmil](/molmil-images/mine/5cdw) | 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
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5D0J
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![BU of 5d0j by Molmil](/molmil-images/mine/5d0j) | 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
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5D39
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![BU of 5d39 by Molmil](/molmil-images/mine/5d39) | Transcription factor-DNA complex | Descriptor: | DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6 | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | Deposit date: | 2015-08-06 | Release date: | 2016-08-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for DNA recognition by STAT6 Proc.Natl.Acad.Sci.USA, 113, 2016
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5DC0
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![BU of 5dc0 by Molmil](/molmil-images/mine/5dc0) | |
5DC9
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![BU of 5dc9 by Molmil](/molmil-images/mine/5dc9) | CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL B | Descriptor: | AS25 monobody, GLYCEROL, IMIDAZOLE, ... | Authors: | Wojcik, J.B, Koide, A, Koide, S. | Deposit date: | 2015-08-23 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface. J.Biol.Chem., 291, 2016
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5DC4
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![BU of 5dc4 by Molmil](/molmil-images/mine/5dc4) | CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL A | Descriptor: | AS25 monobody, GLYCEROL, Tyrosine-protein kinase ABL1 | Authors: | Wojcik, J.B, Koide, A, Koide, S. | Deposit date: | 2015-08-23 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface. J.Biol.Chem., 291, 2016
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5DF6
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![BU of 5df6 by Molmil](/molmil-images/mine/5df6) | Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | Authors: | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-08-26 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
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