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7BV9
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The NMR structure of the BEN domain from human NAC1
分子名称: Nucleus accumbens-associated protein 1
著者Nagata, T, Kobayashi, N, Nakayama, N, Obayashi, E, Urano, T.
登録日2020-04-09
公開日2021-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Nucleus Accumbens-Associated Protein 1 Binds DNA Directly through the BEN Domain in a Sequence-Specific Manner.
Biomedicines, 8, 2020
7XUD
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BU of 7xud by Molmil
Structure of G9a in complex with compound 26a
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUB
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Structure of G9a in complex with compound 10d
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
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 Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUA
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Structure of G9a in complex with compound 10a
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUC
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Structure of G9a in complex with compound 11a
分子名称: 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
8IG0
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Crystal structure of menin in complex with DS-1594b
分子名称: (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ...
著者Suzuki, M, Yoneyama, T, Imai, E.
登録日2023-02-20
公開日2023-03-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
5WR7
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BU of 5wr7 by Molmil
Crystal structure of Trk-A complexed with a selective inhibitor CH7057288
分子名称: High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
著者Tanaka, H, Blaesse, M, Augustin, M, Goesser, C.
登録日2016-11-30
公開日2017-12-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer.
Mol. Cancer Ther., 17, 2018
8OTH
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TypeII tau filament from Kii ALS/PDC
分子名称: Microtubule-associated protein tau
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OT9
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CTE typeIII tau filament from Guam ALS/PDC
分子名称: Microtubule-associated protein tau
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTD
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TMEM106B Fold1-s filament from Guam ALS/PDC
分子名称: Transmembrane protein 106B
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTG
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CTE typeI tau filament from Kii ALS/PDC
分子名称: Microtubule-associated protein tau
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTF
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Ab typeII filament from Guam ALS/PDC
分子名称: Amyloid-beta precursor protein
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTC
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CTE typeII tau filament from Guam ALS/PDC
分子名称: Microtubule-associated protein tau
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTJ
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PHF tau filament from Kii ALS/PDC
分子名称: Microtubule-associated protein tau
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OT6
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BU of 8ot6 by Molmil
CTE typeI tau filament from Guam ALS/PDC
分子名称: Microtubule-associated protein tau
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTE
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BU of 8ote by Molmil
TMEM106B Fold I-d filament from Guam ALS/PDC
分子名称: Transmembrane protein 106B
著者Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTI
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BU of 8oti by Molmil
CTE typeIII tau filament
分子名称: Microtubule-associated protein tau
著者Tetter, S, Qi, C, Ryskeldi-Falcon, B, Scheres, S.H.W, Goedert, M.
登録日2023-04-20
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
5XSZ
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BU of 5xsz by Molmil
Crystal structure of zebrafish lysophosphatidic acid receptor LPA6
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lysophosphatidic acid receptor 6a,Endolysin,Lysophosphatidic acid receptor 6a
著者Taniguchi, R, Nishizawa, T, Ishitani, R, Nureki, O.
登録日2017-06-16
公開日2017-08-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into ligand recognition by the lysophosphatidic acid receptor LPA6
Nature, 548, 2017
8Z7D
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Structure of G9a in complex with compound 9a
分子名称: 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
登録日2024-04-20
公開日2025-01-22
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
8Z7E
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BU of 8z7e by Molmil
Structure of G9a in complex with compound 9b
分子名称: Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
登録日2024-04-20
公開日2025-01-22
実験手法X-RAY DIFFRACTION (1.545 Å)
主引用文献Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
8Z7C
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Structure of G9a in complex with compound 7i
分子名称: 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
登録日2024-04-20
公開日2025-01-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
2E5T
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BU of 2e5t by Molmil
C-terminal domain of Epsilon subunit of F1F0-ATP synthase from the Thermophilic bacillus PS3 in the presence of ATP condition
分子名称: ATP synthase epsilon chain
著者Yagi, H, Akutsu, H.
登録日2006-12-22
公開日2007-07-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structures of the thermophilic F1-ATPase {varepsilon} subunit suggesting ATP-regulated arm motion of its C-terminal domain in F1
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E5U
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C-terminal domain of Epsilon subunit of F1F0-ATP synthase from the Thermophilic Bacillus PS3
分子名称: ATP synthase epsilon chain
著者Yagi, H, Akutsu, H.
登録日2006-12-25
公開日2007-07-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structures of the thermophilic F1-ATPase {varepsilon} subunit suggesting ATP-regulated arm motion of its C-terminal domain in F1
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E5Y
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Epsilon subunit and ATP complex of F1F0-ATP synthase from the Thermophilic Bacillus PS3
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain
著者Yagi, H, Akutsu, H.
登録日2006-12-25
公開日2007-07-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structures of the thermophilic F1-ATPase {varepsilon} subunit suggesting ATP-regulated arm motion of its C-terminal domain in F1
Proc.Natl.Acad.Sci.Usa, 104, 2007
8X3M
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BU of 8x3m by Molmil
Crystal structure of p38alpha with an allosteric inhibitor 2
分子名称: Mitogen-activated protein kinase 14, ~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide
著者Hasegawa, S, Kinoshita, T.
登録日2023-11-14
公開日2024-11-20
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Distinct binding modes of a benzothiazole derivative confer structural bases for increasing ERK2 or p38 alpha MAPK selectivity.
Biochem.Biophys.Res.Commun., 704, 2024

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