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5NUH
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Crystal structure of SIVmac239 Nef bound to an engineered Hck SH3 domain
分子名称: Protein Nef, Tyrosine-protein kinase HCK,Tyrosine-protein kinase HCK
著者Horenkamp, F.A, Anand, K, Geyer, M.
登録日2017-04-30
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
5XGG
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BU of 5xgg by Molmil
Crystal Structure C-terminal SH3 domain of Myosin IB from Entamoeba histolytica
分子名称: SULFATE ION, Unconventional myosin IB
著者Gautam, G, Gourinath, S.
登録日2017-04-13
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of the PEG-bound SH3 domain of myosin IB from Entamoeba histolytica reveals its mode of ligand recognition
Acta Crystallogr D Struct Biol, 73, 2017
5XG9
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Crystal Structure of PEG-bound SH3 domain of Myosin IB from Entamoeba histolytica
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, PENTAETHYLENE GLYCOL, ...
著者Gautam, G, Gourinath, S.
登録日2017-04-13
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of the PEG-bound SH3 domain of myosin IB from Entamoeba histolytica reveals its mode of ligand recognition
Acta Crystallogr D Struct Biol, 73, 2017
5NP3
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Abl2 SH3
分子名称: Abelson tyrosine-protein kinase 2
著者Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
5NP5
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Abl2 SH3 pTyr116/161
分子名称: Abelson tyrosine-protein kinase 2, SULFATE ION
著者Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
5NP2
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Abl1 SH3 pTyr89/134
分子名称: Tyrosine-protein kinase ABL1
著者Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
5VEI
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BU of 5vei by Molmil
Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2
分子名称: Sorbin and SH3 domain-containing protein 2, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Huang, H, Gu, J, Liu, K, Sidhu, S.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-04-04
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2
To be Published
5UL6
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BU of 5ul6 by Molmil
The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions
分子名称: Adapter molecule crk, Proline-rich motif of nonstructural protein 1 of influenza a virus
著者Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H.
登録日2017-01-24
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Molecular Mechanisms Underlying the Hijack of Host Proteins by the 1918 Spanish Influenza Virus.
ACS Chem. Biol., 12, 2017
5MO4
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ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
分子名称: Nilotinib, Tyrosine-protein kinase ABL1, asciminib
著者Cowan-Jacob, S.W.
登録日2016-12-13
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.
Nature, 543, 2017
5H09
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Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-ethyl2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoate
分子名称: Tyrosine-protein kinase HCK, ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0B
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Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoic acid
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0H
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BU of 5h0h by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0G
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BU of 5h0g by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0E
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BU of 5h0e by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5L23
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BU of 5l23 by Molmil
Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand
分子名称: Adapter molecule crk, C3G derived peptide, DI(HYDROXYETHYL)ETHER
著者Bhatt, V.S, Krieger, I, Sacchettini, J, Cho, J.-H.
登録日2016-07-30
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand
To Be Published
5JMQ
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Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP3
分子名称: 1,2-ETHANEDIOL, 9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine, CALCIUM ION, ...
著者Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
登録日2016-04-29
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
Febs J., 284, 2017
5IXF
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BU of 5ixf by Molmil
Solution structure of the STAM2 SH3 with AMSH derived peptide complex
分子名称: STAM-binding protein, Signal transducing adapter molecule 2
著者Hologne, M, Cantrelle, F.X, Trivelli, X, Walker, O.
登録日2016-03-23
公開日2016-12-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR Reveals the Interplay among the AMSH SH3 Binding Motif, STAM2, and Lys63-Linked Diubiquitin.
J.Mol.Biol., 428, 2016
5IHK
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BU of 5ihk by Molmil
Crystal Structure of the alpha spectrin SH3 domain mutant N47A
分子名称: ACETATE ION, PROLINE, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2016-02-29
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of the alpha spectrin SH3 domain mutant N47A
to be published
5IHN
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Crystal Structure of the alpha spectrin SH3 domain mutant N47G
分子名称: FORMIC ACID, SODIUM ION, Spectrin alpha chain, ...
著者Camara-Artigas, A.
登録日2016-02-29
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the alpha spectrin SH3 domain mutant N47G
to be published
5IHI
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Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, Spectrin alpha chain, ...
著者Camara-Artigas, A.
登録日2016-02-29
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G
to be published
5IH2
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Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of CrkII and proline-rich motifs in cAbl
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Adapter molecule crk, DI(HYDROXYETHYL)ETHER, ...
著者Bhatt, V.S, Zeng, D, Krieger, I, Sacchettini, J.C, Cho, J.-H.
登録日2016-02-28
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl.
Biophys.J., 110, 2016
5FWA
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Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP1
分子名称: 1,2-ETHANEDIOL, 9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine, CALCIUM ION, ...
著者Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
登録日2016-02-16
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
FEBS J., 284, 2017
5FW9
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Human Spectrin SH3 domain D48G, E7Y, K60Y
分子名称: SPECTRIN ALPHA CHAIN, NON-ERYTHROCYTIC 1
著者Gallego, P, Navarro, S, Ventura, S, Reverter, D.
登録日2016-02-12
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Human Spectrin SH3 Domain D48G, E7Y, K60Y
To be Published
5FWC
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Human Spectrin SH3 domain D48G, E7A, K60A
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, SPECTRIN ALPHA CHAIN, ...
著者Gallego, P, Navarro, S, Ventura, S, Reverter, D.
登録日2016-02-12
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Human Spectrin SH3 Domain D48G, E7A, K60A
To be Published
5FWD
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Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP2
分子名称: 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, CALCIUM ION, ...
著者Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
登録日2016-02-12
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Studies of Protein Arginine Methyltransferase 2 Reveal its Interactions with Potential Substrates and Inhibitors.
FEBS J., 284, 2017

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