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PDB: 33 件
7NG7
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Src kinase bound to eCF506 trapped in inactive conformation
分子名称: 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
著者Lietha, D, Unciti-Broceta, A.
登録日2021-02-08
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability.
Cancer Res., 81, 2021
1GMO
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CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ...
著者Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E.
登録日2001-09-20
公開日2001-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor
Embo J., 20, 2001
1GMN
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BU of 1gmn by Molmil
CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR
著者Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E.
登録日2001-09-19
公開日2001-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor
Embo J., 20, 2001
2J0L
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Crystal structure of a the active conformation of the kinase domain of focal adhesion kinase with a phosphorylated activation loop.
分子名称: FOCAL ADHESION KINASE 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J.
登録日2006-08-03
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for the Autoinhibition of Focal Adhesion Kinase
Cell(Cambridge,Mass.), 129, 2007
2J0M
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Crystal structure a two-chain complex between the FERM and kinase domains of focal adhesion kinase.
分子名称: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1
著者Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J.
登録日2006-08-03
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Cell(Cambridge,Mass.), 129, 2007
2J0K
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Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains.
分子名称: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1
著者Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J.
登録日2006-08-03
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Cell(Cambridge,Mass.), 129, 2007
2J0J
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Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains.
分子名称: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1
著者Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J.
登録日2006-08-03
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Autoinhibition of Focal Adhesion Kinase
Cell(Cambridge,Mass.), 129, 2007
2JKK
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Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
分子名称: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, FOCAL ADHESION KINASE 1, SULFATE ION
著者Lietha, D, Eck, M.J.
登録日2008-08-28
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of the Fak Kinase in Complex with Tae226 and Related Bis-Anilino Pyrimidine Inhibitors Reveal a Helical Dfg Conformation.
Plos One, 3, 2008
2JKM
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Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
分子名称: 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE, FOCAL ADHESION KINASE 1
著者Lietha, D, Eck, M.J.
登録日2008-08-28
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal Structures of the Fak Kinase in Complex with Tae226 and Related Bis-Anilino Pyrimidine Inhibitors Reveal a Helical Dfg Conformation.
Plos One, 3, 2008
2JKQ
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Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
分子名称: 4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one, FOCAL ADHESION KINASE 1
著者Lietha, D, Eck, M.J.
登録日2008-08-29
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of the Fak Kinase in Complex with Tae226 and Related Bis-Anilino Pyrimidine Inhibitors Reveal a Helical Dfg Conformation.
Plos One, 3, 2008
2JKO
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Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
分子名称: 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-1-ONE, FOCAL ADHESION KINASE 1
著者Lietha, D, Eck, M.J.
登録日2008-08-28
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structures of the Fak Kinase in Complex with Tae226 and Related Bis-Anilino Pyrimidine Inhibitors Reveal a Helical Dfg Conformation.
Plos One, 3, 2008
6TY4
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BU of 6ty4 by Molmil
FAK structure with AMP-PNP from single particle analysis of 2D crystals
分子名称: Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D.
登録日2020-01-15
公開日2020-08-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.96 Å)
主引用文献Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
6TY3
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FAK structure from single particle analysis of 2D crystals
分子名称: Focal adhesion kinase 1
著者Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D.
登録日2020-01-15
公開日2020-08-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.32 Å)
主引用文献Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
1GP9
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A New Crystal Form of the Nk1 Splice Variant of Hgf/Sf Demonstrates Extensive Hinge Movement and Suggests that the Nk1 Dimer Originates by Domain Swapping
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR
著者Watanabe, K, Chirgadze, D.Y, Lietha, D, Gherardi, E, Blundell, T.L.
登録日2001-10-31
公開日2001-11-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A New Crystal Form of the Nk1 Splice Variant of Hgf/Sf Demonstrates Extensive Hinge Movement and Suggests that the Nk1 Dimer Originates by Domain Swapping
J.Mol.Biol., 319, 2002
3ZDT
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BU of 3zdt by Molmil
Crystal structure of basic patch mutant FAK FERM domain FAK31- 405 K216A, K218A, R221A, K222A
分子名称: FOCAL ADHESION KINASE 1
著者Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D.
登録日2012-11-30
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4BRX
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Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor
分子名称: 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-N-methylbenzamide, FOCAL ADHESION KINASE 1, SULFATE ION
著者Le Coq, J, Lietha, D.
登録日2013-06-05
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthesis of Novel Diarylamino-1,3,5-Triazine Derivatives as Fak Inhibitors with Anti-Angiogenic Activity.
Bioorg.Med.Chem.Lett., 23, 2013
6GCW
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Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION
著者Yen-Pon, E, Li, B, Acebron-Garcia-de-Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
6GCX
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Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION
著者Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
6GCR
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Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1
著者Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
5OKM
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Crystal structure of human SHIP2 Phosphatase-C2
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NITRATE ION, ...
著者Le Coq, J, Lietha, D.
登録日2017-07-25
公開日2017-08-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
5OKN
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Crystal structure of human SHIP2 Phosphatase-C2 D607A mutant
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Le Coq, J, Lietha, D.
登録日2017-07-25
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
5OKP
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Crystal structure of human SHIP2 Phosphatase-C2 double mutant F593D/L597D
分子名称: 1,2-ETHANEDIOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
著者Le Coq, J, Lietha, D.
登録日2017-07-25
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
5OKO
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Crystal structure of human SHIP2 Phosphatase-C2 double mutant F593D/L597D
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
著者Le Coq, J, Lietha, D.
登録日2017-07-25
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
4D4S
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Focal Adhesion Kinase catalytic domain
分子名称: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, ...
著者Le Coq, J, Lin, A, Lietha, D.
登録日2014-10-31
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D5H
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Focal Adhesion Kinase catalytic domain
分子名称: 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one, FOCAL ADHESION KINASE 1, SULFATE ION
著者Le Coq, J, Lin, A, Lietha, D.
登録日2014-11-05
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015

 

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