8I50
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8HIS
| Crystal structure of DNA decamer containing GuNA[Me,tBu] | 分子名称: | CACODYLIC ACID, DNA (5'-D(*GP*CP*GP*TP*AP*(LR6)P*AP*CP*GP*C)-3') | 著者 | Aoyama, H, Obika, S, Yamaguchi, T. | 登録日 | 2022-11-21 | 公開日 | 2023-08-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids. Nucleic Acids Res., 51, 2023
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5AXE
| Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NH) | 分子名称: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSH)P*AP*CP*GP*C)-3') | 著者 | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | 登録日 | 2015-07-28 | 公開日 | 2016-07-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure. Org.Biomol.Chem., 14, 2016
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5AXF
| Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NMe) | 分子名称: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSM)P*AP*CP*GP*C)-3') | 著者 | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | 登録日 | 2015-07-28 | 公開日 | 2016-07-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure. Org.Biomol.Chem., 14, 2016
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4U6K
| Crystal structure of DNA/RNA duplex containing 2'-4'-BNA-NC | 分子名称: | COBALT HEXAMMINE(III), DNA (5'-D(*(NCU)P*(NTT)P*CP*TP*TP*CP*TP*(NTT)P*(NCU))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | 著者 | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | 登録日 | 2014-07-29 | 公開日 | 2015-08-19 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA. Chem.Commun.(Camb.), 52, 2016
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4U6M
| Crystal structure of DNA/RNA duplex obtained in the presence of Spermine | 分子名称: | DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | 著者 | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | 登録日 | 2014-07-29 | 公開日 | 2015-08-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA. Chem.Commun.(Camb.), 52, 2016
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4U6L
| Crystal structure of DNA/RNA duplex obtained in the presence of [Co(NH3)6]Cl3 and SrCl2 | 分子名称: | COBALT HEXAMMINE(III), DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3'), ... | 著者 | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | 登録日 | 2014-07-29 | 公開日 | 2015-08-19 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA. Chem.Commun.(Camb.), 52, 2016
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6LBW
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8HU5
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6ADV
| Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(9V9)P*GP*CP*G)-3' | 著者 | Aoyama, H.A, Habuchi, T.H, Yamaguchi, T.Y, Obika, S.O. | 登録日 | 2018-08-02 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Hybridization and Mismatch Discrimination Abilities of 2',4'-Bridged Nucleic Acids Bearing 2-Thiothymine or 2-Selenothymine Nucleobase. J. Org. Chem., 84, 2019
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7C3N
| Crystal structure of JAK3 in complex with Delgocitinib | 分子名称: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | 著者 | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | 登録日 | 2020-05-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders. J.Med.Chem., 63, 2020
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5AYG
| Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g | 分子名称: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma | 著者 | Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T. | 登録日 | 2015-08-20 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor Acs Med.Chem.Lett., 7, 2016
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6KC5
| HOIP-HOIPIN1 complex | 分子名称: | 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RNF31, ... | 著者 | Sato, Y, Fukai, S. | 登録日 | 2019-06-27 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.543 Å) | 主引用文献 | Molecular bases for HOIPINs-mediated inhibition of LUBAC and innate immune responses. Commun Biol, 3, 2020
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6KC6
| HOIP-HOIPIN8 complex | 分子名称: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ... | 著者 | Sato, Y, Fukai, S. | 登録日 | 2019-06-27 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.123 Å) | 主引用文献 | Molecular bases for HOIPINs-mediated inhibition of LUBAC and innate immune responses. Commun Biol, 3, 2020
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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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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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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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