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7DB0
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BU of 7db0 by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in dimedone-bound form
分子名称: 5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, DIMETHYL SULFOXIDE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
7DAZ
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BU of 7daz by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP015- and GSH-bound form
分子名称: 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine, GLUTATHIONE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
7DB2
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BU of 7db2 by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in GS-dimedone-bound form
分子名称: 5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, DIMETHYL SULFOXIDE, GLUTATHIONE, ...
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
7DAY
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BU of 7day by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-, and GSH-bound form
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid, GLUTATHIONE, ...
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
7DB4
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BU of 7db4 by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP012- and glutathione-bound form
分子名称: 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one, GLUTATHIONE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
7DAX
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BU of 7dax by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-bound form
分子名称: 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7000097 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
7DB3
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BU of 7db3 by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP011-bound form
分子名称: 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol, DIMETHYL SULFOXIDE, GLUTATHIONE, ...
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
4ZOH
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BU of 4zoh by Molmil
Crystal structure of glyceraldehyde oxidoreductase
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Nishimasu, H, Fushinobu, S, Wakagi, T.
登録日2015-05-06
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Archaeal Mo-Containing Glyceraldehyde Oxidoreductase Isozymes Exhibit Diverse Substrate Specificities through Unique Subunit Assemblies.
Plos One, 11, 2016
6TGG
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BU of 6tgg by Molmil
scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar
分子名称: 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ...
著者Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
登録日2019-11-15
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment.
Chem Sci, 11, 2020
6KEM
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BU of 6kem by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form 2
分子名称: Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEL
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BU of 6kel by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Senda, T, Niwa, R.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEQ
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BU of 6keq by Molmil
Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form
分子名称: Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEN
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BU of 6ken by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form
分子名称: GLUTATHIONE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KER
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BU of 6ker by Molmil
Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form
分子名称: GLUTATHIONE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
5B5S
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BU of 5b5s by Molmil
Crystal structure of a carbohydrate esterase family 3 from Talaromyces cellulolyticus
分子名称: Acetic acid, CALCIUM ION, GLYCEROL, ...
著者Watanabe, M, Ishikawa, K.
登録日2016-05-16
公開日2016-11-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of an acetylesterase from Talaromyces cellulolyticus and the importance of a disulfide bond near the active site
Febs Lett., 589, 2015
6JIB
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BU of 6jib by Molmil
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
6JID
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BU of 6jid by Molmil
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
6KG2
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BU of 6kg2 by Molmil
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
2RR2
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BU of 2rr2 by Molmil
Structure of O-fucosylated epidermal growth factor-like repeat 12 of mouse Notch-1 receptor
分子名称: Neurogenic locus notch homolog protein 1, alpha-L-fucopyranose
著者Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S.
登録日2010-02-26
公開日2010-10-13
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
2RR0
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BU of 2rr0 by Molmil
Structure of epidermal growth factor-like repeat 12 of mouse Notch-1 receptor
分子名称: Neurogenic locus notch homolog protein 1
著者Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S.
登録日2010-02-26
公開日2010-10-13
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
2RQZ
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BU of 2rqz by Molmil
Structure of sugar modified epidermal growth factor-like repeat 12 of mouse Notch-1 receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, Neurogenic locus notch homolog protein 1
著者Shimizu, K, Fujitani, N, Hosoguchi, K, Nishimura, S.
登録日2010-02-26
公開日2010-10-13
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
4ZFZ
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BU of 4zfz by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with myristoylated 5-mer lipopeptide derived from SIV Nef protein
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-mer lipopeptide from Protein Nef, ...
著者Morita, D, Sugita, M.
登録日2015-04-22
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex
Nat Commun, 7, 2016
5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
1WU1
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BU of 1wu1 by Molmil
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
分子名称: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
著者Suzuki, M.
登録日2004-11-29
公開日2005-11-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005

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