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7YRU
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BU of 7yru by Molmil
ALK2 antibody complex
分子名称: Activin receptor type-1, antibody heavy chain, antibody light chain
著者Kawaguchi, Y, Nakamura, K, Suzuki, M, Tsuji, S, Katagiri, T.
登録日2022-08-10
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A blocking monoclonal antibody reveals dimerization of intracellular domains of ALK2 associated with genetic disorders.
Nat Commun, 14, 2023
7FGT
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BU of 7fgt by Molmil
Discovery of DS15060524; Gene targeting chimera (GeneTAC) for the treatment of Friedreich's Ataxia (FRDA)
分子名称: DNA (5'-D(*AP*AP*GP*AP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*CP*TP*T)-3'), ~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide
著者Takase, N, Kawai, G, Igarashi, W, Katagiri, T.
登録日2021-07-28
公開日2022-08-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Discovery of DS15060524; Gene targeting chimera (GeneTAC) for the treatment of Friedreich's Ataxia (FRDA)
To be published
7BTV
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BU of 7btv by Molmil
Crystal structure of EHMT2 SET domain in complex with compound 5.
分子名称: Histone-lysine N-methyltransferase EHMT2, N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ...
著者Suzuki, M, Mizuno, T, Katayama, K.
登録日2020-04-03
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Bioorg.Med.Chem.Lett., 30, 2020
6A1G
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BU of 6a1g by Molmil
Crystal structure of human DYRK1A in complex with compound 32
分子名称: 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6A1F
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BU of 6a1f by Molmil
Crystal structure of human DYRK1A in complex with compound 14
分子名称: 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
7BUC
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BU of 7buc by Molmil
Crystal structure of EHMT2 SET domain in complex with compound 13
分子名称: Histone-lysine N-methyltransferase EHMT2, N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ...
著者Suzuki, M, Mizuno, M, Katayama, K.
登録日2020-04-06
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Bioorg.Med.Chem.Lett., 30, 2020
7C3G
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BU of 7c3g by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134
分子名称: 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ...
著者Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
登録日2020-05-12
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Bioorg.Med.Chem.Lett., 38, 2021
7DCF
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BU of 7dcf by Molmil
Crystal structure of EHMT2 SET domain in complex with compound 10
分子名称: 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Suzuki, M, Katayama, K.
登録日2020-10-26
公開日2021-02-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease.
Acs Med.Chem.Lett., 12, 2021

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件を2024-06-12に公開中

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