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RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine
Descriptor:	6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2
Authors:	Convery, M.A, Haile, P.A.
Deposit date:	2018-09-13
Release date:	2018-11-07
Last modified:	2024-05-15
Method:	X-RAY DIFFRACTION (2.53 Å)
Cite:	Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel. ACS Med Chem Lett, 9, 2018

human PXR LBD bound to GSK001
Descriptor:	Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2
Authors:	Williams, S.P, Wisely, G.B, Ward, P.
Deposit date:	2021-07-20
Release date:	2021-08-25
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021

human PXR LBD bound to GSK003
Descriptor:	Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide
Authors:	Williams, S.P, Wisely, G.B, Ward, P.
Deposit date:	2021-07-20
Release date:	2021-08-25
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.48 Å)
Cite:	Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021

human PXR LBD bound to GSK002
Descriptor:	Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide
Authors:	Williams, S.P, Wisely, G.B, Ward, P.
Deposit date:	2021-07-20
Release date:	2021-08-25
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.05 Å)
Cite:	Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021