2DXS
 
 | | Crystal structure of HCV NS5B RNA polymerase complexed with a tetracyclic inhibitor | | 分子名称: | Genome polyprotein, N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | | 著者 | Adachi, T, Tsuruha, J, Doi, S, Murase, K, Ikegashira, K, Watanabe, S, Uehara, K, Orita, T, Nomura, A, Kamada, M. | | 登録日 | 2006-08-30 | | 公開日 | 2006-12-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Conformationally Constrained Tetracyclic Compounds as Potent Hepatitis C Virus NS5B RNA Polymerase Inhibitors
J.Med.Chem., 49, 2006
|
|
6IG8
 | | Crystal structure of CSF-1R kinase domain with a small molecular inhibitor, JTE-952 | | 分子名称: | (3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Doi, S, Adachi, T. | | 登録日 | 2018-09-25 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of a novel azetidine scaffold for colony stimulating factor-1 receptor (CSF-1R) Type II inhibitors by the use of docking models.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
8JBN
 | | Vascular endothelial protein tyrosine phosphatase in complex with Cpd-1 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid, ... | | 著者 | Orita, T, Furuzono, T, Doi, S, Adachi, T. | | 登録日 | 2023-05-09 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
|
|
8JBY
 | | Vascular endothelial protein tyrosine phosphatase in complex with Cpd-2 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid, ... | | 著者 | Orita, T, Furuzono, T, Doi, S, Adachi, T. | | 登録日 | 2023-05-10 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
|
|
7EAT
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | | 分子名称: | 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-08 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
|
|
7EBG
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | | 分子名称: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
|
|
7EBB
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
|
|
7EA0
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | | 分子名称: | 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-05 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
|
|
7EBH
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | | 分子名称: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
|
|
7EAS
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-08 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
|
|
