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4L1B
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Crystal Structure of p110alpha complexed with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-03
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L2Y
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Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
分子名称: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L23
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Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-04
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4LUE
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Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002)
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-25
公開日2014-02-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4LUD
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Crystal Structure of HCK in complex with the fluorescent compound SKF86002
分子名称: 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-25
公開日2014-02-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
3WA4
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BU of 3wa4 by Molmil
Grb2 SH2 domain/CD28-derived peptide complex
分子名称: ACETIC ACID, CADMIUM ION, Growth factor receptor-bound protein 2, ...
著者Higo, K, Oda, M, Ito, N.
登録日2013-04-23
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献High Resolution Crystal Structure of the Grb2 SH2 Domain with a Phosphopeptide Derived from CD28
Plos One, 8, 2013
2MK2
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Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
著者Yang, Y, Ramelot, T.A, Janjua, H, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2014-01-23
公開日2014-03-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A.
To be Published
4JPS
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Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors
分子名称: (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, ...
著者Knapp, M.S, Elling, R.A.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Bioorg.Med.Chem.Lett., 23, 2013
4K11
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The structure of 1NA in complex with Src T338G
分子名称: 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Eck, M.J, Yun, C.H.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of 1NA in complex with Src T338G
To be Published
4P9Z
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Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Clements, J.H, Martin, S.F.
登録日2014-04-06
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
4P9V
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Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide
分子名称: CHLORIDE ION, Growth factor receptor-bound protein 2, PHQ-PTR-02K-ASN-NH2
著者Clements, J.H, Martin, S.F.
登録日2014-04-06
公開日2014-06-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
4U5W
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BU of 4u5w by Molmil
Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Protein Nef, ...
著者Alvarado, J.J, Yeh, J.I, Smithgall, T.E.
登録日2014-07-25
公開日2014-08-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
4OVV
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Crystal Structure of PI3Kalpha in complex with diC4-PIP2
分子名称: (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Gabelli, S.B, Vogelstein, B, Miller, M, Amzel, L.M.
登録日2014-01-14
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
4OVU
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Crystal Structure of p110alpha in complex with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2014-01-14
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
4OHE
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LEOPARD Syndrome-Associated SHP2/G464A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHD
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LEOPARD Syndrome-Associated SHP2/A461T mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHI
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LEOPARD Syndrome-Associated SHP2/Q510E mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHH
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LEOPARD Syndrome-Associated SHP2/Q506P mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHL
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LEOPARD Syndrome-Associated SHP2/T468M mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4NWG
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Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
To be Published
4NWF
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Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published
4ROJ
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Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
分子名称: Guanine nucleotide exchange factor VAV2, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-10-28
公開日2014-12-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
TO BE PUBLISHED
4WAF
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Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha
分子名称: 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
著者Knapp, M.S, Elling, R.A.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4TZI
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Structure of unliganded Lyn SH2 domain
分子名称: Tyrosine-protein kinase Lyn
著者Wybenga-Groot, L.E.
登録日2014-07-10
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tyrosine Phosphorylation of the Lyn Src Homology 2 (SH2) Domain Modulates Its Binding Affinity and Specificity.
Mol.Cell Proteomics, 14, 2015
4XI2
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Crystal Structure of an auto-inhibited form of Bruton's Tryrosine Kinase
分子名称: GOLD ION, Tyrosine-protein kinase BTK
著者Vogan, E.M, Harrison, S.C.
登録日2015-01-06
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015

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