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6ILT
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BU of 6ilt by Molmil
Structure of Arabidopsis thaliana Ribokinase complexed with ATP and Magnesium ion
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribokinase, ...
著者Kang, P, Oh, J, Rhee, S.
登録日2018-10-19
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
6ILS
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BU of 6ils by Molmil
Structure of Arabidopsis thaliana Ribokinase complexed with Ribose and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ribokinase, SODIUM ION, ...
著者Kang, P, Oh, J, Rhee, S.
登録日2018-10-19
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
6ILR
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BU of 6ilr by Molmil
Structure of Arabidopsis thaliana Ribokinase in unligand form
分子名称: Ribokinase, SODIUM ION, TETRAETHYLENE GLYCOL
著者Kang, P, Oh, J, Rhee, S.
登録日2018-10-19
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
3HEK
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BU of 3hek by Molmil
HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium
分子名称: Heat shock protein HSP 90-alpha, PHOSPHATE ION, [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone
著者Gajiwala, K.S.
登録日2009-05-08
公開日2009-09-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Solution-phase parallel synthesis of Hsp90 inhibitors
J.Comb.Chem., 11
3R4N
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BU of 3r4n by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4O
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BU of 3r4o by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4M
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BU of 3r4m by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha
著者Almassy, R.J.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4P
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BU of 3r4p by Molmil
Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION
著者Gajiwala, K.S.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011

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件を2024-07-10に公開中

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