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8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
分子名称: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T.
登録日2022-11-16
公開日2023-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T.
登録日2022-11-16
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Covalent Modifier Discovery by Hydrogen/Deuterium Exchange Mass Spectrometry (HDX-MS)
To Be Published
5WQX
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BU of 5wqx by Molmil
Covalent bond formation of synthetic ligand with hPPARg-LBD
分子名称: 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T, Yamamoto, K.
登録日2016-11-29
公開日2017-11-22
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
5WR0
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BU of 5wr0 by Molmil
Huisgen cycloaddition for PPARg-LBD labeling by soaking method
分子名称: (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T, Yamamoto, K.
登録日2016-11-29
公開日2017-11-22
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
5WR1
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BU of 5wr1 by Molmil
Covalent bond formation of bifunctional ligand with hPPARg-LBD
分子名称: 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T, Yamamoto, K.
登録日2016-11-29
公開日2017-11-22
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
6JEY
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BU of 6jey by Molmil
Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD
分子名称: (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Yamamoto, K, Itoh, T.
登録日2019-02-07
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
6JEZ
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BU of 6jez by Molmil
Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
分子名称: (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ...
著者Kojima, H, Yamamoto, K, Itoh, T.
登録日2019-02-07
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
6JF0
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BU of 6jf0 by Molmil
Covalent labeling of hPPARg-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
分子名称: 7-methoxychromen-2-one, Peroxisome proliferator-activated receptor gamma, methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
著者Kojima, H, Yamamoto, K, Itoh, T.
登録日2019-02-07
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
5XE9
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BU of 5xe9 by Molmil
Crystal Structure of the Complex of the Peptidase Domain of Streptococcus mutans ComA with a Small Molecule Inhibitor.
分子名称: Putative ABC transporter, ATP-binding protein ComA, [(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate
著者Ishii, S, Fukui, K, Yokoshima, S, Kumagai, K, Beniyama, Y, Kodama, T, Fukuyama, T, Okabe, T, Nagano, T, Kojima, H, Yano, T.
登録日2017-04-03
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway
Sci Rep, 7, 2017
5XE8
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BU of 5xe8 by Molmil
Crystal Structure of the Peptidase Domain of Streptococcus mutans ComA
分子名称: DI(HYDROXYETHYL)ETHER, Putative ABC transporter, ATP-binding protein ComA
著者Ishii, S, Fukui, K, Yokoshima, S, Kumagai, K, Beniyama, Y, Kodama, T, Fukuyama, T, Okabe, T, Nagano, T, Kojima, H, Yano, T.
登録日2017-04-03
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway
Sci Rep, 7, 2017
4ZY3
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BU of 4zy3 by Molmil
Crystal Structure of Keap1 in Complex with a small chemical compound, K67
分子名称: FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
著者Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M.
登録日2015-05-21
公開日2016-05-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
7EVT
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BU of 7evt by Molmil
Crystal structure of the N-terminal degron-truncated human glutamine synthetase
分子名称: Glutamine synthetase
著者Chek, M.F, Kim, S.Y, Mori, T, Hakoshima, T.
登録日2021-05-22
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of N-terminal degron-truncated human glutamine synthetase.
Acta Crystallogr.,Sect.F, 77, 2021
8J6N
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BU of 8j6n by Molmil
Crystal structure of Cystathionine gamma-lyase in complex with compound 1
分子名称: 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ...
著者Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K.
登録日2023-04-26
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
分子名称: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
著者Suwanai, Y, Toma-Fukai, S, Shimizu, T.
登録日2016-11-27
公開日2017-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
5WQK
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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
分子名称: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
著者Suwanai, Y, Toma-Fukai, S, Shimizu, T.
登録日2016-11-27
公開日2017-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
7V62
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BU of 7v62 by Molmil
Crystal structure of human OSBP ORD in complex with cholesterol
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHOLESTEROL, CITRIC ACID, ...
著者Kobayashi, J, Kato, R.
登録日2021-08-19
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Ligand Recognition by the Lipid Transfer Domain of Human OSBP Is Important for Enterovirus Replication.
Acs Infect Dis., 8, 2022
4WUA
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BU of 4wua by Molmil
Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340
分子名称: CITRIC ACID, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide, SRSF protein kinase 1, ...
著者Hoshina, M, Ikura, T, Hosoya, T, Hagiwara, M, Ito, N.
登録日2014-10-31
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a Dual Inhibitor of SRPK1 and CK2 That Attenuates Pathological Angiogenesis of Macular Degeneration in Mice
Mol.Pharmacol., 88, 2015
7EBW
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BU of 7ebw by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-bound form
分子名称: 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBV
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BU of 7ebv by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in luteolin- and glutathione-bound form
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBT
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BU of 7ebt by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in glutathione-bound form
分子名称: CALCIUM ION, GLUTATHIONE, Glutathione transferase
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBU
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BU of 7ebu by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in Daidzein- and glutathione-bound form
分子名称: 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
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
7DB0
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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
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
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

 

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