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3WIY
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BU of 3wiy by Molmil
Crystal structure of Mcl-1 in complex with compound 10
分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIZ
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BU of 3wiz by Molmil
Crystal structure of Bcl-xL in complex with compound 10
分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Bcl-2-like protein 1, PHOSPHATE ION
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
7WWX
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BU of 7wwx by Molmil
Crystal structure of Herbaspirillum huttiense L-arabinose 1-dehydrogenase (NAD bound form)
分子名称: DI(HYDROXYETHYL)ETHER, NAD(P)-dependent dehydrogenase (Short-subunit alcohol dehydrogenase family), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Matsubara, R, Yoshiwara, K, Watanabe, Y, Watanabe, S.
登録日2022-02-14
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structure of L-arabinose 1-dehydrogenase as a short-chain reductase/dehydrogenase protein.
Biochem.Biophys.Res.Commun., 604, 2022
5AYL
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BU of 5ayl by Molmil
Crystal structure of ERdj5 form II
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DnaJ homolog subfamily C member 10
著者Watanabe, S, Maegawa, K, Inaba, K.
登録日2015-08-22
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Highly dynamic nature of ERdj5 is essential for enhancement of the ER associated degradation
To Be Published
5AZZ
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BU of 5azz by Molmil
Crystal structure of seleno-insulin
分子名称: Insulin A chain, Insulin B chain
著者Watanabe, S, Okumura, M, Arai, K, Takei, T, Asahina, Y, Hojo, H, Iwaoka, M, Inaba, K.
登録日2015-10-23
公開日2017-05-03
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Preparation of Selenoinsulin as a Long-Lasting Insulin Analogue.
Angew. Chem. Int. Ed. Engl., 56, 2017
5AYK
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BU of 5ayk by Molmil
Crystal structure of ERdj5 form I
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CHLORIDE ION, DnaJ homolog subfamily C member 10
著者Watanabe, S, Maegawa, K, Inaba, K.
登録日2015-08-22
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Highly dynamic nature of ERdj5 is essential for enhancement of the ER associated degradation
To Be Published
1JRH
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BU of 1jrh by Molmil
COMPLEX (ANTIBODY/ANTIGEN)
分子名称: ANTIBODY A6, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
著者Winkler, F.K, Sogabe, S.
登録日1997-09-23
公開日1998-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Neutralizing epitopes on the extracellular interferon gamma receptor (IFNgammaR) alpha-chain characterized by homolog scanning mutagenesis and X-ray crystal structure of the A6 fab-IFNgammaR1-108 complex.
J.Mol.Biol., 273, 1997
5H5Q
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BU of 5h5q by Molmil
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
5H7H
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BU of 5h7h by Molmil
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
5H7G
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BU of 5h7g by Molmil
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
5H5R
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BU of 5h5r by Molmil
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
5H5S
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BU of 5h5s by Molmil
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
3W32
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BU of 3w32 by Molmil
EGFR kinase domain complexed with compound 20a
分子名称: 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y.
登録日2012-12-07
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
3W33
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BU of 3w33 by Molmil
EGFR kinase domain complexed with compound 19b
分子名称: 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y.
登録日2012-12-07
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
6IGG
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BU of 6igg by Molmil
Crystal structure of FT condition 1
分子名称: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
著者Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
登録日2018-09-25
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGJ
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BU of 6igj by Molmil
Crystal structure of FT condition 4
分子名称: MAGNESIUM ION, Protein FLOWERING LOCUS T
著者Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
登録日2018-09-25
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGI
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BU of 6igi by Molmil
Crystal structure of FT condition 2
分子名称: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
著者Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
登録日2018-09-25
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGH
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BU of 6igh by Molmil
Crystal structure of FT condition3
分子名称: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
著者Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
登録日2018-09-25
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
5ZG3
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BU of 5zg3 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137
分子名称: 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG2
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BU of 5zg2 by Molmil
Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2
分子名称: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG1
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BU of 5zg1 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2
分子名称: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG0
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BU of 5zg0 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1
分子名称: 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
3VHV
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BU of 3vhv by Molmil
Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist
分子名称: 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ...
著者Sogabe, S, Habuka, N.
登録日2011-09-07
公開日2011-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
5ZUN
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BU of 5zun by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 3l
分子名称: (4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Sogabe, S, Zama, Y, Lane, W, Snell, G.
登録日2018-05-08
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors
J. Med. Chem., 61, 2018
5YBF
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BU of 5ybf by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and HBT1
分子名称: 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, ACETATE ION, GLUTAMIC ACID, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2017-09-04
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018

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