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4EBW
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BU of 4ebw by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
Descriptor: 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1
Authors:Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H.
Deposit date:2012-03-25
Release date:2012-07-25
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
4I4E
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BU of 4i4e by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound.
Descriptor: Focal adhesion kinase 1, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2012-11-27
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
4I4F
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BU of 4i4f by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound.
Descriptor: Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2012-11-27
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
4EBV
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BU of 4ebv by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
Descriptor: 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1, ISOPROPYL ALCOHOL
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2012-03-25
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
5UVC
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BU of 5uvc by Molmil
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: Beta-adrenergic receptor kinase 1, N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide, SULFATE ION
Authors:Hoffman, I.D, Lawson, J.D.
Deposit date:2017-02-20
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
5UUU
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BU of 5uuu by Molmil
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, ...
Authors:Hoffman, I.D, Lawson, J.D.
Deposit date:2017-02-17
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017

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