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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
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
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
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
3B07
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BU of 3b07 by Molmil
Crystal structure of octameric pore form of gamma-hemolysin from Staphylococcus aureus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Gamma-hemolysin component A, Gamma-hemolysin component B
Authors:Yamashita, K, Kawai, Y, Tanaka, Y, Yao, M, Tanaka, I.
Deposit date:2011-06-06
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Crystal structure of the octameric pore of staphylococcal gamma-hemolysin reveals the beta-barrel pore formation mechanism by two components
Proc.Natl.Acad.Sci.USA, 108, 2011

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