5GJG
 
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | | 分子名称: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-06-29 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | 著者 | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7YUZ
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | | 分子名称: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | 著者 | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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5B71
 | | Crystal structure of complement C5 in complex with SKY59 | | 分子名称: | Complement C5 beta chain, SKY59 Fab heavy chain, SKY59 Fab light chain | | 著者 | Irie, M, Shimizu, Y, Sampei, Z, Fukuzawa, T. | | 登録日 | 2016-06-03 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Long lasting neutralization of C5 by SKY59, a novel recycling antibody, is a potential therapy for complement-mediated diseases.
Sci Rep, 7, 2017
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5JGB
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | | 分子名称: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-04-20 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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5JGA
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c | | 分子名称: | N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-04-19 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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5JGD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | | 分子名称: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-04-20 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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5GJD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | | 分子名称: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-06-29 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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5GJF
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | | 分子名称: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-06-29 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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8W85
 | | HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ... | | 著者 | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | 登録日 | 2023-08-31 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.769 Å) | | 主引用文献 | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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8W86
 | | HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ... | | 著者 | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | 登録日 | 2023-08-31 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.236 Å) | | 主引用文献 | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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8W84
 | | HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | | 著者 | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | 登録日 | 2023-08-31 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.105 Å) | | 主引用文献 | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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8W83
 | | HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | | 著者 | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | 登録日 | 2023-08-31 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | | 主引用文献 | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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8JJS
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | | 著者 | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | 登録日 | 2023-05-31 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.534 Å) | | 主引用文献 | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
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2Z8I
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2Z8J
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2Z8K
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3W0T
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3VW9
 | | Human Glyoxalase I with an N-hydroxypyridone inhibitor | | 分子名称: | 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, ... | | 著者 | Fukami, T.A, Irie, M, Matsuura, T. | | 登録日 | 2012-08-10 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3W0U
 | | human Glyoxalase I with an N-hydroxypyridone inhibitor | | 分子名称: | Lactoylglutathione lyase, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide, ZINC ION | | 著者 | Fukami, T.A, Irie, M, Matsuura, T. | | 登録日 | 2012-11-02 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate
to be published
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4XZQ
 | | Nucleosome disassembly by RSC and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis | | 分子名称: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | | 著者 | Dechassa, M.L, Luger, K, Chatterjee, N, North, J.A, Manohar, M, Prasad, R, Ottessen, J.J, Poirier, M.G, Bartholomew, B. | | 登録日 | 2015-02-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Histone Acetylation near the Nucleosome Dyad Axis Enhances Nucleosome Disassembly by RSC and SWI/SNF.
Mol.Cell.Biol., 35, 2015
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4YS3
 | | Nucleosome disassembly by RSC and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis | | 分子名称: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | | 著者 | Dechassa, M.L, Luger, K, Chatterjee, N, North, J.A, Manohar, M, Prasad, R, Ottessen, J.J, Poirier, M.G, Bartholomew, B. | | 登録日 | 2015-03-16 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Histone Acetylation near the Nucleosome Dyad Axis Enhances Nucleosome Disassembly by RSC and SWI/SNF.
Mol.Cell.Biol., 35, 2015
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | 分子名称: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | 登録日 | 2016-12-08 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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4Z66
 | | Nucleosome disassembly by RSC and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis | | 分子名称: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | | 著者 | Dechassa, M.L, Luger, K, Chatterjee, N, North, J.A, Manohar, M, Prasad, R, Ottessen, J.J, Poirier, M.G, Bartholomew, B. | | 登録日 | 2015-04-03 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Histone Acetylation near the Nucleosome Dyad Axis Enhances Nucleosome Disassembly by RSC and SWI/SNF.
Mol.Cell.Biol., 35, 2015
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | 著者 | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | 登録日 | 2015-10-27 | | 公開日 | 2015-11-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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