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4KSP
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BU of 4ksp by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632
Descriptor: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Masanori, O.
Deposit date:2013-05-17
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
4KSQ
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BU of 4ksq by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B
Descriptor: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Masanori, O.
Deposit date:2013-05-17
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
5TA8
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BU of 5ta8 by Molmil
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor
Descriptor: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5TA6
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BU of 5ta6 by Molmil
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor.
Descriptor: 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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