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4QCD
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BU of 4qcd by Molmil
Neutron crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha at room temperature.
分子名称: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase, trideuteriooxidanium
著者Unno, M, Ishikawa-Suto, K, Ishihara, M, Hagiwara, Y, Sugishima, M, Wada, K, Fukuyama, K.
登録日2014-05-10
公開日2015-04-29
最終更新日2024-03-20
実験手法NEUTRON DIFFRACTION (1.932 Å), X-RAY DIFFRACTION
主引用文献Insights into the Proton Transfer Mechanism of a Bilin Reductase PcyA Following Neutron Crystallography.
J. Am. Chem. Soc., 137, 2015
5AXD
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BU of 5axd by Molmil
Crystal structure of mouse SAHH complexed with ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of mouse SAHH complexed with ribavirin
To Be Published
5AXC
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BU of 5axc by Molmil
Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
分子名称: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
To Be Published
5AXA
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BU of 5axa by Molmil
Crystal structure of mouse SAHH complexed with adenosine
分子名称: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mouse SAHH complexed with adenosine
To Be Published
5AXB
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BU of 5axb by Molmil
Crystal structure of mouse SAHH complexed with noraristeromycin
分子名称: (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of mouse SAHH complexed with noraristeromycin
To Be Published
1ZRN
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BU of 1zrn by Molmil
INTERMEDIATE STRUCTURE OF L-2-HALOACID DEHALOGENASE WITH MONOCHLOROACETATE
分子名称: ACETIC ACID, L-2-HALOACID DEHALOGENASE
著者Li, Y.-F, Hata, Y, Fujii, T, Hisano, T, Nishihara, M, Kurihara, T, Esaki, N.
登録日1998-03-03
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structures of reaction intermediates of L-2-haloacid dehalogenase and implications for the reaction mechanism.
J.Biol.Chem., 273, 1998
1ZRM
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BU of 1zrm by Molmil
CRYSTAL STRUCTURE OF THE REACTION INTERMEDIATE OF L-2-HALOACID DEHALOGENASE WITH 2-CHLORO-N-BUTYRATE
分子名称: L-2-HALOACID DEHALOGENASE, butanoic acid
著者Li, Y.-F, Hata, Y, Fujii, T, Hisano, T, Nishihara, M, Kurihara, T, Esaki, N.
登録日1998-03-03
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of reaction intermediates of L-2-haloacid dehalogenase and implications for the reaction mechanism.
J.Biol.Chem., 273, 1998
6P8I
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BU of 6p8i by Molmil
N-terminal 5 domains of IGFIIR
分子名称: Cation-independent mannose-6-phosphate receptor, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Olson, L.J, Dahms, N.M, Kim, J.-J.P.
登録日2019-06-07
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor.
Commun Biol, 3, 2020
6V02
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BU of 6v02 by Molmil
N-terminal 5 domains of CI-MPR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor
著者Olson, L.J, Dahms, N.M, Kim, J.-J.P.
登録日2019-11-18
公開日2020-09-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor.
Commun Biol, 3, 2020
3D34
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BU of 3d34 by Molmil
Structure of the F-spondin domain of mindin
分子名称: CALCIUM ION, NICKEL (II) ION, Spondin-2
著者Li, Y, Mariuzza, R.A.
登録日2008-05-09
公開日2009-02-17
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the F-spondin domain of mindin, an integrin ligand and pattern recognition molecule.
Embo J., 28, 2009
8W86
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BU of 8w86 by Molmil
HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W85
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BU of 8w85 by Molmil
HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.769 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W84
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BU of 8w84 by Molmil
HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W83
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BU of 8w83 by Molmil
HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
5JGB
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BU of 5jgb by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10
分子名称: N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-20
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGD
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BU of 5jgd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12
分子名称: N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-20
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGA
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Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c
分子名称: N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-19
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5GJF
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BU of 5gjf by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3
分子名称: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJG
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Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4
分子名称: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJD
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Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2
分子名称: 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016

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