2J0K
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![BU of 2j0k by Molmil](/molmil-images/mine/2j0k) | Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains. | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1 | Authors: | Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J. | Deposit date: | 2006-08-03 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for the Autoinhibition of Focal Adhesion Kinase. Cell(Cambridge,Mass.), 129, 2007
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2J0M
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![BU of 2j0m by Molmil](/molmil-images/mine/2j0m) | Crystal structure a two-chain complex between the FERM and kinase domains of focal adhesion kinase. | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1 | Authors: | Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J. | Deposit date: | 2006-08-03 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Autoinhibition of Focal Adhesion Kinase. Cell(Cambridge,Mass.), 129, 2007
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1GMN
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![BU of 1gmn by Molmil](/molmil-images/mine/1gmn) | CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR | Descriptor: | 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 | Authors: | Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E. | Deposit date: | 2001-09-19 | Release date: | 2001-10-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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1GMO
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![BU of 1gmo by Molmil](/molmil-images/mine/1gmo) | CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR | Descriptor: | 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, ... | Authors: | Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E. | Deposit date: | 2001-09-20 | Release date: | 2001-10-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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
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2JKK
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2JKQ
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![BU of 2jkq by Molmil](/molmil-images/mine/2jkq) | Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor | Descriptor: | 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 | Authors: | Lietha, D, Eck, M.J. | Deposit date: | 2008-08-29 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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2J0J
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![BU of 2j0j by Molmil](/molmil-images/mine/2j0j) | Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains. | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1 | Authors: | Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J. | Deposit date: | 2006-08-03 | Release date: | 2007-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Autoinhibition of Focal Adhesion Kinase Cell(Cambridge,Mass.), 129, 2007
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2J0L
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![BU of 2j0l by Molmil](/molmil-images/mine/2j0l) | Crystal structure of a the active conformation of the kinase domain of focal adhesion kinase with a phosphorylated activation loop. | Descriptor: | FOCAL ADHESION KINASE 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J. | Deposit date: | 2006-08-03 | Release date: | 2007-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for the Autoinhibition of Focal Adhesion Kinase Cell(Cambridge,Mass.), 129, 2007
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2JKM
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![BU of 2jkm by Molmil](/molmil-images/mine/2jkm) | Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor | Descriptor: | 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 | Authors: | Lietha, D, Eck, M.J. | Deposit date: | 2008-08-28 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 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
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2JKO
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![BU of 2jko by Molmil](/molmil-images/mine/2jko) | Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor | Descriptor: | 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 | Authors: | Lietha, D, Eck, M.J. | Deposit date: | 2008-08-28 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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
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7NG7
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![BU of 7ng7 by Molmil](/molmil-images/mine/7ng7) | Src kinase bound to eCF506 trapped in inactive conformation | Descriptor: | 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 | Authors: | Lietha, D, Unciti-Broceta, A. | Deposit date: | 2021-02-08 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability. Cancer Res., 81, 2021
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3ZDT
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![BU of 3zdt by Molmil](/molmil-images/mine/3zdt) | Crystal structure of basic patch mutant FAK FERM domain FAK31- 405 K216A, K218A, R221A, K222A | Descriptor: | FOCAL ADHESION KINASE 1 | Authors: | 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. | Deposit date: | 2012-11-30 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes. Proc.Natl.Acad.Sci.USA, 111, 2014
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6TY3
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![BU of 6ty3 by Molmil](/molmil-images/mine/6ty3) | FAK structure from single particle analysis of 2D crystals | Descriptor: | Focal adhesion kinase 1 | Authors: | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | Deposit date: | 2020-01-15 | Release date: | 2020-08-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6.32 Å) | Cite: | Structural basis of Focal Adhesion Kinase activation on lipid membranes. Embo J., 39, 2020
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6TY4
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![BU of 6ty4 by Molmil](/molmil-images/mine/6ty4) | FAK structure with AMP-PNP from single particle analysis of 2D crystals | Descriptor: | Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | Deposit date: | 2020-01-15 | Release date: | 2020-08-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (5.96 Å) | Cite: | Structural basis of Focal Adhesion Kinase activation on lipid membranes. Embo J., 39, 2020
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1GP9
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![BU of 1gp9 by Molmil](/molmil-images/mine/1gp9) | 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 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR | Authors: | Watanabe, K, Chirgadze, D.Y, Lietha, D, Gherardi, E, Blundell, T.L. | Deposit date: | 2001-10-31 | Release date: | 2001-11-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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6GCX
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![BU of 6gcx by Molmil](/molmil-images/mine/6gcx) | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2018-04-19 | Release date: | 2019-05-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase. Acs Chem.Biol., 13, 2018
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6GCR
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![BU of 6gcr by Molmil](/molmil-images/mine/6gcr) | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2018-04-19 | Release date: | 2019-05-01 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase. Acs Chem.Biol., 13, 2018
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6GCW
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![BU of 6gcw by Molmil](/molmil-images/mine/6gcw) | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2018-04-19 | Release date: | 2019-05-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase. Acs Chem.Biol., 13, 2018
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5OKP
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![BU of 5okp by Molmil](/molmil-images/mine/5okp) | |
5OKM
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![BU of 5okm by Molmil](/molmil-images/mine/5okm) | Crystal structure of human SHIP2 Phosphatase-C2 | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NITRATE ION, ... | Authors: | Le Coq, J, Lietha, D. | Deposit date: | 2017-07-25 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural basis for interdomain communication in SHIP2 providing high phosphatase activity. Elife, 6, 2017
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5OKN
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![BU of 5okn by Molmil](/molmil-images/mine/5okn) | Crystal structure of human SHIP2 Phosphatase-C2 D607A mutant | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Le Coq, J, Lietha, D. | Deposit date: | 2017-07-25 | Release date: | 2017-08-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for interdomain communication in SHIP2 providing high phosphatase activity. Elife, 6, 2017
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5OKO
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![BU of 5oko by Molmil](/molmil-images/mine/5oko) | Crystal structure of human SHIP2 Phosphatase-C2 double mutant F593D/L597D | Descriptor: | 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 | Authors: | Le Coq, J, Lietha, D. | Deposit date: | 2017-07-25 | Release date: | 2017-08-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural basis for interdomain communication in SHIP2 providing high phosphatase activity. Elife, 6, 2017
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4BRX
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![BU of 4brx by Molmil](/molmil-images/mine/4brx) | Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor | Descriptor: | 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-N-methylbenzamide, FOCAL ADHESION KINASE 1, SULFATE ION | Authors: | Le Coq, J, Lietha, D. | Deposit date: | 2013-06-05 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis of Novel Diarylamino-1,3,5-Triazine Derivatives as Fak Inhibitors with Anti-Angiogenic Activity. Bioorg.Med.Chem.Lett., 23, 2013
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4C7T
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![BU of 4c7t by Molmil](/molmil-images/mine/4c7t) | Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor | Descriptor: | FOCAL ADHESION KINASE 1, N-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide, SULFATE ION | Authors: | Le Coq, J, Lietha, D. | Deposit date: | 2013-09-25 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Inhibition of Both Focal Adhesion Kinase and Fibroblast Growth Factor Receptor 2 Pathways Induces Anti-Tumor and Anti-Angiogenic Activities. Cancer Lett., 348, 2014
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4D4S
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![BU of 4d4s by Molmil](/molmil-images/mine/4d4s) | Focal Adhesion Kinase catalytic domain | Descriptor: | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, ... | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-10-31 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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