7VBU
| Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | 分子名称: | 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | 登録日 | 2021-09-01 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7VBV
| Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | 分子名称: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | 登録日 | 2021-09-01 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7VBX
| Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | 分子名称: | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | 登録日 | 2021-09-01 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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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
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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
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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
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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
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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
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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
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5B86
| Crystal structure of M-Sec | 分子名称: | Tumor necrosis factor alpha-induced protein 2 | 著者 | Yamashita, M, Sato, Y, Yamagata, A, Fukai, S. | 登録日 | 2016-06-12 | 公開日 | 2016-10-12 | 最終更新日 | 2020-02-26 | 実験手法 | X-RAY DIFFRACTION (3.017 Å) | 主引用文献 | Distinct Roles for the N- and C-terminal Regions of M-Sec in Plasma Membrane Deformation during Tunneling Nanotube Formation. Sci Rep, 6, 2016
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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
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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
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