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BU of 6gdq by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者	O'Reilly, M.
登録日	2018-04-24
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.86 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 6g9d by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide
著者	O'Reilly, M.
登録日	2018-04-10
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 6g9m by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者	O'Reilly, M.
登録日	2018-04-11
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.86 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 6gdm by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者	O'Reilly, M.
登録日	2018-04-24
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.91 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 6g9n by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者	O'Reilly, M.
登録日	2018-04-11
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.76 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 6g91 by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者	O'Reilly, M.
登録日	2018-04-10
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 6g9k by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者	O'Reilly, M.
登録日	2018-04-11
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 6ge0 by Molmil

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称:	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者	O'Reilly, M.
登録日	2018-04-25
公開日	2018-05-30
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.82 Å)
主引用文献	Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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BU of 3tqv by Molmil

Structure of the nicotinate-nucleotide pyrophosphorylase from Francisella tularensis.
分子名称:	Nicotinate-nucleotide pyrophosphorylase, PHOSPHATE ION
著者	Rudolph, M, Cheung, J, Franklin, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日	2011-09-09
公開日	2011-09-28
最終更新日	2017-11-08
実験手法	X-RAY DIFFRACTION (2.62 Å)
主引用文献	Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction. Plos One, 8, 2013

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BU of 3tqk by Molmil

Structure of Phospho-2-dehydro-3-deoxyheptonate aldolase from Francisella tularensis SCHU S4
分子名称:	ACETATE ION, CALCIUM ION, MANGANESE (II) ION, ...
著者	Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日	2011-09-09
公開日	2011-09-21
最終更新日	2014-08-20
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction. Plos One, 8, 2013

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BU of 3trj by Molmil

Structure of a phosphoheptose isomerase from Francisella tularensis
分子名称:	Phosphoheptose isomerase
著者	Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日	2011-09-09
公開日	2011-09-21
最終更新日	2023-12-06
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction. Plos One, 8, 2013

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