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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