6JUX
 
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 | | 分子名称: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION | | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | 登録日 | 2019-04-15 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Acs Omega, 5, 2020
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7C3G
 | | 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
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7XN1
 | | Crystal structure of human acetylcholinesterase in complex with tacrine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase, ... | | 著者 | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | | 登録日 | 2022-04-27 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
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6ACR
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | | 分子名称: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | 登録日 | 2018-07-27 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H).
Chem. Pharm. Bull., 67, 2019
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3A98
 | | Crystal structure of the complex of the interacting regions of DOCK2 and ELMO1 | | 分子名称: | Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1 | | 著者 | Hanawa-Suetsugu, K, Kukimoto-Niino, M, Sekine, S, Ito, T, Mishima-Tsumagari, C, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S. | | 登録日 | 2009-10-21 | | 公開日 | 2010-10-27 | | 最終更新日 | 2019-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3B13
 | | Crystal structure of the DHR-2 domain of DOCK2 in complex with Rac1 (T17N mutant) | | 分子名称: | Dedicator of cytokinesis protein 2, Ras-related C3 botulinum toxin substrate 1 | | 著者 | Hanawa-Suetsugu, K, Kukimoto-Niino, M, Mishima-Tsumagari, C, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S. | | 登録日 | 2011-06-24 | | 公開日 | 2012-03-14 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.006 Å) | | 主引用文献 | Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7DPA
 | | Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex | | 分子名称: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1 | | 著者 | Kukimoto-Niino, M, Katsura, K, Kaushik, R, Ehara, H, Yokoyama, T, Uchikubo-Kamo, T, Mishima-Tsumagari, C, Yonemochi, M, Ikeda, M, Hanada, K, Zhang, K.Y.J, Shirouzu, M. | | 登録日 | 2020-12-18 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex.
Sci Adv, 7, 2021
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7E3D
 | | Crystal structure of human acetylcholinesterase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase | | 著者 | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | | 登録日 | 2021-02-08 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
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7E3H
 | | Crystal structure of human acetylcholinesterase in complex with donepezil | | 分子名称: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | | 登録日 | 2021-02-08 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
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8I5W
 | | Crystal structure of the DHR-2 domain of DOCK10 in complex with Rac1 | | 分子名称: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | | 著者 | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | | 登録日 | 2023-01-26 | | 公開日 | 2023-03-15 | | 実験手法 | X-RAY DIFFRACTION (2.432 Å) | | 主引用文献 | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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8I5V
 | | DOCK10 mutant L1903Y complexed with Rac1 | | 分子名称: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | | 著者 | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | | 登録日 | 2023-01-26 | | 公開日 | 2023-03-15 | | 実験手法 | X-RAY DIFFRACTION (1.726 Å) | | 主引用文献 | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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8I5F
 | | Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant) | | 分子名称: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10 | | 著者 | Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M. | | 登録日 | 2023-01-25 | | 公開日 | 2023-03-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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6JPP
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2RQR
 | | The solution structure of human DOCK2 SH3 domain - ELMO1 peptide chimera complex | | 分子名称: | Engulfment and cell motility protein 1,Dedicator of cytokinesis protein 2 | | 著者 | Yokoyama, S, Tochio, N, Koshiba, S, Kigawa, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2009-10-21 | | 公開日 | 2010-10-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7Y4A
 | | Crystal structure of human ELMO1 RBD-RhoG complex | | 分子名称: | Engulfment and cell motility protein 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tsuda, K, Kukimoto-Niino, M, Shirouzu, M. | | 登録日 | 2022-06-14 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Targeting Ras-binding domain of ELMO1 by computational nanobody design.
Commun Biol, 6, 2023
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3AB3
 | | Crystal structure of p115RhoGEF RGS domain in complex with G alpha 13 | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, Guanine nucleotide-binding protein subunit alpha-13, ... | | 著者 | Kukimoto-Niino, M, Mishima, C, Shirouzu, M, Kozasa, T, Yokoyama, S. | | 登録日 | 2009-11-30 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of critical residues in G(alpha)13 for stimulation of p115RhoGEF activity and the structure of the G(alpha)13-p115RhoGEF regulator of G protein signaling homology (RH) domain complex.
J.Biol.Chem., 286, 2011
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8K5Y
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | 分子名称: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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8K5X
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | 分子名称: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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8K5W
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | 分子名称: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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8K5V
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | 分子名称: | 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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6AJ4
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6AJL
 | | DOCK7 mutant I1836Y complexed with Cdc42 | | 分子名称: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 7 | | 著者 | Kukimoto-Niino, M, Shirouzu, M. | | 登録日 | 2018-08-28 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Structural Basis for the Dual Substrate Specificity of DOCK7 Guanine Nucleotide Exchange Factor.
Structure, 27, 2019
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