1IY8
 
 | | Crystal Structure of Levodione Reductase | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, LEVODIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Sogabe, S, Fukami, T, Shiratori, Y, Yoshizumi, A, Wada, M. | | 登録日 | 2002-07-25 | | 公開日 | 2003-05-27 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Crystal Structure and Stereospecificity of Levodione Reductase from Corynebacterium aquaticum M-13
J.BIOL.CHEM., 278, 2003
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1IYL
 | | Crystal Structure of Candida albicans N-myristoyltransferase with Non-peptidic Inhibitor | | 分子名称: | (1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE, Myristoyl-CoA:Protein N-Myristoyltransferase | | 著者 | Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T. | | 登録日 | 2002-08-29 | | 公開日 | 2002-12-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
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1IYK
 | | Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor | | 分子名称: | MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, TETRADECANOYL-COA, [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE | | 著者 | Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T. | | 登録日 | 2002-08-29 | | 公開日 | 2002-12-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
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3W2S
 | | EGFR kinase domain with compound4 | | 分子名称: | 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION | | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | | 登録日 | 2012-12-03 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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3W2O
 | | EGFR Kinase domain T790M/L858R Mutant with TAK-285 | | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | | 登録日 | 2012-12-03 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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3W2R
 | | EGFR Kinase domain T790M/L858R mutant with compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor | | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | | 登録日 | 2012-12-03 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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3W2P
 | | EGFR Kinase domain T790M/L858R mutant with compound 2 | | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | | 登録日 | 2012-12-03 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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3W2Q
 | | EGFR kinase domain T790M/L858R mutant with HKI-272 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | | 登録日 | 2012-12-03 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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5XCO
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5X54
 | | Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide | | 分子名称: | ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1 | | 著者 | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | 登録日 | 2017-02-14 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
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4PF3
 | | Mineralocorticoid receptor ligand-binding domain with compuond 37a | | 分子名称: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | 著者 | Sogabe, S, Habuka, N. | | 登録日 | 2014-04-28 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
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1CO6
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7DBJ
 | | Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046 | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ... | | 著者 | Sogabe, S, Miwa, M. | | 登録日 | 2020-10-20 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.551 Å) | | 主引用文献 | Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
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7DBK
 | | Crystal structure of human LDHB in complex with NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain | | 著者 | Sogabe, S, Miwa, M. | | 登録日 | 2020-10-20 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
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2ZDT
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | 分子名称: | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10 | | 著者 | Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A. | | 登録日 | 2007-11-27 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
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5X9O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | | 分子名称: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-03-08 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4N
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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1IO3
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2ZDU
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | 分子名称: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10 | | 著者 | Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A. | | 登録日 | 2007-11-27 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
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7F3O
 | | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653 | | 分子名称: | 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2021-06-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021
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5H5Q
 | | Crystal structure of human GPX4 in complex with GXpep-1 | | 分子名称: | GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ... | | 著者 | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | 登録日 | 2016-11-09 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
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5H7H
 | | Crystal structure of the BCL6 BTB domain in complex with F1324(10-13) | | 分子名称: | 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, F1324 peptide residues 10-13 | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2016-11-18 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
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5H7G
 | | Crystal structure of the BCL6 BTB domain in complex with F1324 | | 分子名称: | B-cell lymphoma 6 protein, F1324 peptide, SULFATE ION | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2016-11-18 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
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5H5R
 | | Crystal structure of human GPX4 in complex with GXpep-2 | | 分子名称: | GLYCEROL, GXpep-2, Phospholipid hydroperoxide glutathione peroxidase, ... | | 著者 | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | 登録日 | 2016-11-09 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
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5H5S
 | | Crystal structure of human GPX4 in complex with GXpep-3 | | 分子名称: | GLYCEROL, GXpep-3, Phospholipid hydroperoxide glutathione peroxidase, ... | | 著者 | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | 登録日 | 2016-11-09 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
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