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
|
|
7P8E
 | | Crystal structure of the Receiver domain of M. truncatula cytokinin receptor MtCRE1 | | 分子名称: | CALCIUM ION, Receiver domain of histidine kinase | | 著者 | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | | 登録日 | 2021-07-21 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula .
Front Plant Sci, 12, 2021
|
|
7DQH
 | |
7DQW
 | |
7DQS
 | |
7DPS
 | |
7DQI
 | | E. coli GyrB ATPase domain in complex with Esculetin | | 分子名称: | 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ... | | 著者 | Yu, Y, Zhou, H. | | 登録日 | 2020-12-23 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
|
|
7DPR
 | |
7DQM
 | | E. coli GyrB ATPase domain in complex with Naringenin | | 分子名称: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | | 著者 | Yu, Y, Zhou, H. | | 登録日 | 2020-12-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
|
|
7DQJ
 | | E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone | | 分子名称: | 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | | 著者 | Yu, Y, Zhou, H. | | 登録日 | 2020-12-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
|
|
7DQL
 | | E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol | | 分子名称: | 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ... | | 著者 | Yu, Y, Zhou, H. | | 登録日 | 2020-12-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
|
|
7DOR
 | |
7DQF
 | |
7DQU
 | |
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
|
|
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
|
|
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
|
|
7N0E
 | |
7RZW
 | | CryoEM structure of Arabidopsis thaliana phytochrome B | | 分子名称: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B | | 著者 | Li, H, Burgie, E.S, Vierstra, R.D, Li, H. | | 登録日 | 2021-08-27 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-04-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Plant phytochrome B is an asymmetric dimer with unique signalling potential.
Nature, 604, 2022
|
|
7ZBG
 | | Human Topoisomerase II Beta ATPase ADP | | 分子名称: | 4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione, ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, ... | | 著者 | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | 登録日 | 2022-03-23 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
|
|
7QFO
 | | Human Topoisomerase II Beta ATPase AMPPNP | | 分子名称: | ALANINE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | 著者 | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | 登録日 | 2021-12-06 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
|
|
7QFN
 | | Human Topoisomerase II Beta ATPase ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | 著者 | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | 登録日 | 2021-12-06 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-03-01 | | 実験手法 | X-RAY DIFFRACTION (2.621 Å) | | 主引用文献 | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
|
|
