5X1V
 
 | | PKM2 in complex with compound 2 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2017-01-27 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
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4F9M
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | 分子名称: | (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1 | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2012-05-19 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators
Eur.J.Med.Chem., 54, 2012
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5X1W
 | | PKM2 in complex with compound 5 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2017-01-27 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
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5WVD
 | | Structure of Mnk1 in complex with DS12881479 | | 分子名称: | 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide, MAP kinase interacting serine/threonine kinase 1, SULFATE ION | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2016-12-24 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A novel inhibitor stabilizes the inactive conformation of MAPK-interacting kinase 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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3LMP
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | 分子名称: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2010-01-31 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
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3B1M
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A | | 分子名称: | (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | 著者 | Matsui, Y, Hiroyuki, H. | | 登録日 | 2011-07-05 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Pharmacology and in Vitro Profiling of a Novel Peroxisome Proliferator-Activated Receptor gamma Ligand, Cerco-A
Biol.Pharm.Bull., 34, 2011
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6IZN
 | | Crystal structure of the PPARgamma-LBD complexed with compound 3g | | 分子名称: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2018-12-20 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
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6IZM
 | | Crystal structure of the PPARgamma-LBD complexed with compound 1l | | 分子名称: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2018-12-20 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
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5AVI
 | | Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 4 | | 分子名称: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate | | 著者 | Matsui, Y, Hanzawa, H, Tamaki, K. | | 登録日 | 2015-06-16 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists
Bioorg.Med.Chem.Lett., 25, 2015
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5AVL
 | | Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b | | 分子名称: | 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha | | 著者 | Matsui, Y, Hanzawa, H, Tamaki, K. | | 登録日 | 2015-06-17 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists
Bioorg.Med.Chem.Lett., 25, 2015
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5Z6S
 | | Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | | 分子名称: | 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2018-01-25 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
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5Z5S
 | | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | | 分子名称: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2018-01-19 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
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1IXF
 | | Crystal Structure of the K intermediate of bacteriorhodopsin | | 分子名称: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ... | | 著者 | Matsui, Y, Sakai, K, Murakami, M, Shiro, Y, Adachi, S, Okumura, H, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2002-06-20 | | 公開日 | 2002-12-18 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Specific Damage Induced by X-ray Radiation and Structural Changes in the Primary Photoreaction of Bacteriorhodopsin
J.MOL.BIOL., 324, 2002
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3V9V
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | 分子名称: | Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma, methyl 3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2011-12-28 | | 公開日 | 2012-02-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2011
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3V9T
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | 分子名称: | (9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2011-12-28 | | 公開日 | 2012-02-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2012
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3V9Y
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | 分子名称: | 4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2011-12-28 | | 公開日 | 2012-02-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2012
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8ZMU
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6JIB
 | | Human MTHFD2 in complex with DS44960156 | | 分子名称: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | 著者 | Suzuki, M, Matsui, Y, Kawai, J. | | 登録日 | 2019-02-20 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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6JID
 | | Human MTHFD2 in complex with Compound 1 | | 分子名称: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | 著者 | Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J. | | 登録日 | 2019-02-20 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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1QM8
 | | Structure of Bacteriorhodopsin at 100 K | | 分子名称: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL, ... | | 著者 | Takeda, K, Matsui, Y, Sato, H, Hino, T, Kanamori, E, Okumura, H, Yamane, T, Kamiya, N, Kouyama, T. | | 登録日 | 1999-09-22 | | 公開日 | 2000-08-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Novel Three-Dimensional Crystal of Bacteriorhodopsin Obtained by Successive Fusion of the Vesicular Assemblies.
J.Mol.Biol., 283, 1998
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1C1F
 | | LIGAND-FREE CONGERIN I | | 分子名称: | PROTEIN (CONGERIN I) | | 著者 | Shirai, T, Mitsuyama, C, Niwa, Y, Matsui, Y, Hotta, H, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | 登録日 | 1999-03-03 | | 公開日 | 1999-10-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High-resolution structure of the conger eel galectin, congerin I, in lactose-liganded and ligand-free forms: emergence of a new structure class by accelerated evolution.
Structure Fold.Des., 7, 1999
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1C1L
 | | LACTOSE-LIGANDED CONGERIN I | | 分子名称: | PROTEIN (CONGERIN I), beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Shirai, T, Mitsuyama, C, Niwa, Y, Matsui, Y, Hotta, H, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | 登録日 | 1999-03-03 | | 公開日 | 1999-10-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High-resolution structure of the conger eel galectin, congerin I, in lactose-liganded and ligand-free forms: emergence of a new structure class by accelerated evolution.
Structure Fold.Des., 7, 1999
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6KG2
 | | Human MTHFD2 in complex with Compound 18 | | 分子名称: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | | 著者 | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | | 登録日 | 2019-07-10 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
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1DZE
 | | Structure of the M Intermediate of Bacteriorhodopsin trapped at 100K | | 分子名称: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL, ... | | 著者 | Takeda, K, Matsui, Y, Sato, H, Hino, T, Kanamori, E, Okumura, H, Yamane, T, Iizuka, T, Kamiya, N, Adachi, S, Kouyama, T. | | 登録日 | 2000-02-25 | | 公開日 | 2000-08-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of the M Intermediate of Bacteriorhodopsin: Allosteric Structural Changes Mediated by Sliding Movement of a Transmembrane Helix
J.Mol.Biol., 341, 2004
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1IS4
 | | LACTOSE-LIGANDED CONGERIN II | | 分子名称: | CONGERIN II, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Shirai, T, Matsui, Y, Shionyu-Mitsuyama, C, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | 登録日 | 2001-11-12 | | 公開日 | 2002-09-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of a Conger Eel Galectin (Congerin II) at 1.45 A Resolution: Implication for the Accelerated Evolution of a New Ligand-Binding Site Following Gene Duplication
J.Mol.Biol., 321, 2002
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