3W1F
 
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | 分子名称: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | 登録日 | 2012-11-14 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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3VQU
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | | 分子名称: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | | 登録日 | 2012-03-30 | | 公開日 | 2012-06-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
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3WYY
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide | | 分子名称: | (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y. | | 登録日 | 2014-09-10 | | 公開日 | 2015-04-08 | | 最終更新日 | 2022-08-24 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
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3WZJ
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide | | 分子名称: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | | 登録日 | 2014-09-29 | | 公開日 | 2015-02-11 | | 最終更新日 | 2022-08-24 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
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3WYX
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | | 分子名称: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | | 登録日 | 2014-09-09 | | 公開日 | 2015-04-08 | | 最終更新日 | 2022-08-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
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3WZK
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | | 分子名称: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | | 登録日 | 2014-09-29 | | 公開日 | 2015-02-11 | | 最終更新日 | 2022-08-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
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3AGV
 | | Crystal structure of a human IgG-aptamer complex | | 分子名称: | 5'-R(*GP*GP*AP*GP*GP*(UFT)P*GP*(CFZ)P*(UFT)P*(CFZ)P*(CFZ)P*GP*AP*AP*A*GP*GP*AP*AP*(CFZ)P*(UFT)P*(CFZ)P*(CFZ)P*A)-3', CALCIUM ION, Ig gamma-1 chain C region, ... | | 著者 | Nomura, Y, Sugiyama, S, Sakamoto, T, Miyakawa, S, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Nakamura, Y, Matsumura, H. | | 登録日 | 2010-04-08 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Conformational plasticity of RNA for target recognition as revealed by the 2.15 A crystal structure of a human IgG-aptamer complex
Nucleic Acids Res., 38, 2010
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2YRN
 | | Solution structure of the CH domain from Human Neuron navigator 2 | | 分子名称: | Neuron navigator 2 isoform 4 | | 著者 | Tomizawa, T, Tochio, N, Koshiba, S, Inoue, M, Nakamura, Y, Furukawa, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-04-02 | | 公開日 | 2008-02-12 | | 最終更新日 | 2021-11-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the CH domain from Human Neuron navigator 2
To be Published
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2YYU
 | | Crystal structure of uncharacterized conserved protein from Geobacillus kaustophilus | | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | 著者 | Kanagawa, M, Baba, S, Nakamura, Y, Bessho, Y, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-05-02 | | 公開日 | 2007-11-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of uncharacterized conserved protein from Geobacillus kaustophilus
To be Published
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2YYV
 | | Crystal structure of uncharacterized conserved protein from Thermotoga maritima | | 分子名称: | Probable 2-phosphosulfolactate phosphatase | | 著者 | Nakagawa, N, Nakamura, Y, Bessho, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-05-02 | | 公開日 | 2007-11-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of uncharacterized conserved protein from Thermotoga maritima
To be Published
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2YYT
 | | Crystal structure of uncharacterized conserved protein from Geobacillus kaustophilus | | 分子名称: | Orotidine 5'-phosphate decarboxylase | | 著者 | Kanagawa, M, Baba, S, Nakamura, Y, Bessho, Y, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-05-02 | | 公開日 | 2007-11-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of uncharacterized conserved protein from Geobacillus kaustophilus
To be Published
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2YZO
 | | Crystal structure of uncharacterized conserved protein from Thermotoga maritima | | 分子名称: | D-MALATE, Probable 2-phosphosulfolactate phosphatase | | 著者 | Nakagawa, N, Nakamura, Y, Bessho, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-05-06 | | 公開日 | 2007-11-06 | | 最終更新日 | 2012-02-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of uncharacterized conserved protein from Thermotoga maritima
To be Published
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2D2I
 | | Crystal Structure of NADP-Dependent Glyceraldehyde-3-Phosphate Dehydrogenase from Synechococcus Sp. complexed with Nadp+ | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, glyceraldehyde 3-phosphate dehydrogenase | | 著者 | Kitatani, T, Nakamura, Y, Wada, K, Kinoshita, T, Tamoi, M, Shigeoka, S, Tada, T. | | 登録日 | 2005-09-09 | | 公開日 | 2006-07-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Synechococcus PCC7942 complexed with NADP
Acta Crystallogr.,Sect.F, 62, 2006
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2DUU
 | | Crystal Structure of apo-form of NADP-Dependent Glyceraldehyde-3-Phosphate Dehydrogenase from Synechococcus Sp. | | 分子名称: | Glyceraldehyde 3-phosphate dehydrogenase, SULFATE ION | | 著者 | Kitatani, T, Nakamura, Y, Wada, K, Kinoshita, T, Tamoi, M, Shigeoka, S, Tada, T. | | 登録日 | 2006-07-27 | | 公開日 | 2006-09-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of apo-glyceraldehyde-3-phosphate dehydrogenase from Synechococcus PCC7942
Acta Crystallogr.,Sect.F, 62, 2006
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2ZKE
 | | Crystal structure of the SRA domain of mouse Np95 in complex with hemi-methylated CpG DNA | | 分子名称: | DNA (5'-D(*DCP*DTP*DAP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DAP*DAP*DTP*DCP*(5CM)P*DGP*DGP*DTP*DAP*DG)-3'), E3 ubiquitin-protein ligase UHRF1 | | 著者 | Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M. | | 登録日 | 2008-03-19 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
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2ZKG
 | | Crystal structure of unliganded SRA domain of mouse Np95 | | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1 | | 著者 | Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M. | | 登録日 | 2008-03-19 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
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2ZKD
 | | Crystal structure of the SRA domain of mouse Np95 in complex with hemi-methylated CpG DNA | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*DCP*DTP*DAP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DGP*DC)-3'), ... | | 著者 | Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M. | | 登録日 | 2008-03-19 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
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2ZKF
 | | Crystal structure of the SRA domain of mouse Np95 in complex with hemi-methylated CpG DNA | | 分子名称: | DNA (5'-D(*DCP*DTP*DAP*DTP*DCP*(5CM)P*DGP*DGP*DTP*DGP*DA)-3'), DNA (5'-D(P*DCP*DAP*DCP*DCP*DGP*DGP*DAP*DTP*DAP*DGP*DA)-3'), E3 ubiquitin-protein ligase UHRF1 | | 著者 | Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M. | | 登録日 | 2008-03-19 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
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3AQA
 | | Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 | | 分子名称: | 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | | 著者 | Umehara, T, Nakamura, Y, Terada, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2010-10-27 | | 公開日 | 2011-05-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Real-Time Imaging of Histone H4K12-Specific Acetylation Determines the Modes of Action of Histone Deacetylase and Bromodomain Inhibitors
Chem.Biol., 18, 2011
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2DVW
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2DX8
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3VUC
 | | Human renin in complex with compound 5 | | 分子名称: | (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Takahashi, M, Matsui, Y, Hanzawa, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.
Acs Med.Chem.Lett., 3, 2012
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3VSX
 | | Human renin in complex with compound 18 | | 分子名称: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Takahashi, M, Hanzawa, H. | | 登録日 | 2012-05-11 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VSW
 | | Human renin in complex with compound 8 | | 分子名称: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Takahashi, M, Hanzawa, H. | | 登録日 | 2012-05-11 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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2DWZ
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