6D8C
| Cryo-EM structure of FLNaABD E254K bound to phalloidin-stabilized F-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Iwamoto, D.V, Huehn, A.R, Simon, B, Huet-Calderwood, C, Baldassarre, M, Sindelar, C.V, Calderwood, D.A. | Deposit date: | 2018-04-26 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structural basis of the filamin A actin-binding domain interaction with F-actin. Nat. Struct. Mol. Biol., 25, 2018
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7LO0
| Structure of human ASF1a in complex with a TLK2 peptide | Descriptor: | Histone chaperone ASF1A, Serine/threonine-protein kinase tousled-like 2 | Authors: | Simon, B, Calderwood, D, Turk, B.E, Boggon, T.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Tousled-like kinase 2 targets ASF1 histone chaperones through client mimicry. Nat Commun, 13, 2022
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7LNY
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6Q2W
| Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2018-12-03 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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6SLZ
| Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2019-08-21 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist To Be Published
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5T68
| Crystal structure of Syk catalytic domain in complex with a furo[3,2-d]pyrimidine | Descriptor: | N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | Authors: | Argiriadi, M.A, Hoemann, M, Wilson, N, Banach, D, Burchat, A, Calderwood, D, Clapham, B, Cox, P, Duignan, D.B, Konopacki, D, Somal, G, Vasudevan, A. | Deposit date: | 2016-09-01 | Release date: | 2016-10-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Synthesis and optimization of furano[3,2-d]pyrimidines as selective spleen tyrosine kinase (Syk) inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
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3F6Q
| Crystal structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain | Descriptor: | IODIDE ION, Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, ... | Authors: | Chiswell, B.P, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2008-11-06 | Release date: | 2008-12-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis of integrin-linked kinase-PINCH interactions. Proc.Natl.Acad.Sci.USA, 105, 2008
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2C0I
| Src family kinase Hck with bound inhibitor A-420983 | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | Deposit date: | 2005-09-03 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett., 16, 2006
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2C0T
| Src family kinase Hck with bound inhibitor A-641359 | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | Deposit date: | 2005-09-07 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett., 16, 2006
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2C0O
| Src family kinase Hck with bound inhibitor A-770041 | Descriptor: | CALCIUM ION, N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | Deposit date: | 2005-09-06 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett., 16, 2006
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4HI9
| 1.2 structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at wavelength 0.91974 | Descriptor: | IODIDE ION, Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, ... | Authors: | Stiegler, A.L, Jakoncic, J, Stojanoff, V, Chiswell, B.P, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-10-11 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.203 Å) | Cite: | 1.2 structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at wavelength 0.91974 To be Published
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4HI8
| Structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at high energy, wavelength 0.32800 | Descriptor: | Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, PHOSPHATE ION, ... | Authors: | Stiegler, A.L, Jakoncic, J, Stojanoff, V, Chiswell, B.P, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-10-11 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.203 Å) | Cite: | Structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at high energy, wavelength 0.32800 To be Published
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1MK7
| CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA | Descriptor: | Integrin Beta3, TALIN | Authors: | Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C. | Deposit date: | 2002-08-28 | Release date: | 2003-01-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Determinants of Integrin Recognition by Talin Mol.Cell, 11, 2003
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1MK9
| CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA | Descriptor: | Integrin Beta3, TALIN | Authors: | Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C. | Deposit date: | 2002-08-28 | Release date: | 2003-01-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Determinants of Integrin Recognition by Talin Mol.Cell, 11, 2003
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4EDM
| Crystal structure of beta-parvin CH2 domain | Descriptor: | 1,2-ETHANEDIOL, Beta-parvin | Authors: | Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-03-27 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for paxillin binding and focal adhesion targeting of beta-parvin. J.Biol.Chem., 287, 2012
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3IXE
| Structural basis of competition between PINCH1 and PINCH2 for binding to the ankyrin repeat domain of integrin-linked kinase | Descriptor: | Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 2, ZINC ION | Authors: | Chiswell, B.P, Stiegler, A.L, Boggon, T.J, Calderwood, D.A. | Deposit date: | 2009-09-03 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of competition between PINCH1 and PINCH2 for binding to the ankyrin repeat domain of integrin-linked kinase. J.Struct.Biol., 170, 2010
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1MIX
| Crystal structure of a FERM domain of Talin | Descriptor: | Talin | Authors: | Garcia-Alvarez, B, de Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C. | Deposit date: | 2002-08-23 | Release date: | 2003-01-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural determinants of integrin recognition by talin Mol.Cell, 11, 2003
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1MIZ
| Crystal structure of an integrin beta3-talin chimera | Descriptor: | TALIN, integrin beta3 | Authors: | Garcia-Alvarez, B, de Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C. | Deposit date: | 2002-08-23 | Release date: | 2003-01-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural determinants of integrin recognition by talin Mol.Cell, 11, 2003
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4EDL
| Crystal structure of beta-parvin CH2 domain | Descriptor: | 1,2-ETHANEDIOL, Beta-parvin | Authors: | Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-03-27 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for paxillin binding and focal adhesion targeting of beta-parvin. J.Biol.Chem., 287, 2012
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4DX8
| ICAP1 in complex with KRIT1 N-terminus | Descriptor: | BROMIDE ION, Integrin beta-1-binding protein 1, Krev interaction trapped protein 1 | Authors: | Liu, W, Draheim, K, Zhang, R, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-02-27 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Mechanism for KRIT1 Release of ICAP1-Mediated Suppression of Integrin Activation. Mol.Cell, 49, 2013
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4DX9
| ICAP1 in complex with integrin beta 1 cytoplasmic tail | Descriptor: | Integrin beta-1, Integrin beta-1-binding protein 1 | Authors: | Liu, W, Draheim, K, Zhang, R, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-02-27 | Release date: | 2013-01-09 | Last modified: | 2020-09-02 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Mechanism for KRIT1 Release of ICAP1-Mediated Suppression of Integrin Activation. Mol.Cell, 49, 2013
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4EDN
| Crystal structure of beta-parvin CH2 domain in complex with paxillin LD1 motif | Descriptor: | Beta-parvin, Paxillin, SULFATE ION | Authors: | Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-03-27 | Release date: | 2012-08-08 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for paxillin binding and focal adhesion targeting of beta-parvin. J.Biol.Chem., 287, 2012
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4BBK
| Structural and functional characterisation of the kindlin-1 pleckstrin homology domain | Descriptor: | FERMITIN FAMILY HOMOLOG 1, GLYCEROL | Authors: | Yates, L.A, Lumb, C.N, Brahme, N.N, Zalyte, R, Bird, L.E, De Colibus, L, Owens, R.J, Calderwood, D.A, Sansom, M.S.P, Gilbert, R.J.C. | Deposit date: | 2012-09-25 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Functional Characterisation of the Kindlin-1 Pleckstrin Homology Domain J.Biol.Chem., 287, 2012
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