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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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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
2L13
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mini-haipin of AT basepairs having a C12-alkyl linker forming the loop region
分子名称: DNA (5'-D(*TP*AP*TP*TP*AP*TP*((CH2)12)P*AP*TP*AP*AP*TP*A)-3')
著者Siegmund, K.H, Hariharan, M, Lewis, F.D.
登録日2010-07-22
公開日2011-07-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformation of a dodecane DNA hairpin linker. Multiple gauche bonds cover the bases.
J.Phys.Chem.B, 115, 2011
1TYN
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BU of 1tyn by Molmil
ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS
分子名称: BETA-TRYPSIN, CYCLOTHEONAMIDE A
著者Lee, A.Y, Hagihara, M, Karmacharya, R, Albers, M.W, Schreiber, S.L, Clardy, J.
登録日1994-09-19
公開日1995-01-26
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Atomic Structure of the Trypsin-Cyclotheonamide a Complex: Lessons for the Design of Serine Protease Inhibitors
J.Am.Chem.Soc., 115, 1993
3VLG
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BU of 3vlg by Molmil
Crystal structure of the W150A mutant LOX-1 CTLD showing impaired OxLDL binding
分子名称: Oxidized low-density lipoprotein receptor 1
著者Nakano, S, Sugihara, M, Yamada, R, Katayanagi, K, Tate, S.
登録日2011-12-01
公開日2012-04-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural implication for the impaired binding of W150A mutant LOX-1 to oxidized low density lipoprotein, OxLDL
Biochim.Biophys.Acta, 1824, 2012
2D4F
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BU of 2d4f by Molmil
The Crystal Structure of human beta2-microglobulin
分子名称: Beta-2-microglobulin, SODIUM ION
著者Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y.
登録日2005-10-18
公開日2006-08-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
2D4D
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BU of 2d4d by Molmil
The Crystal Structure of human beta2-microglobulin, L39W W60F W95F Mutant
分子名称: Beta-2-microglobulin, SODIUM ION
著者Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y.
登録日2005-10-17
公開日2006-08-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
1KEG
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BU of 1keg by Molmil
Antibody 64M-2 Fab complexed with dTT(6-4)TT
分子名称: 5'-D(*TP*(64T)P*TP*T)-3', Anti-(6-4) photoproduct antibody 64M-2 Fab (heavy chain), Anti-(6-4) photoproduct antibody 64M-2 Fab (light chain), ...
著者Yokoyama, H, Mizutani, R, Satow, Y, Sato, K, Komatsu, Y, Ohtsuka, E, Nikaido, O.
登録日2001-11-15
公開日2002-11-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the DNA (6-4) photoproduct dTT(6-4)TT in complex with the 64M-2 antibody Fab fragment implies increased antibody-binding affinity by the flanking nucleotides.
Acta Crystallogr.,Sect.D, 68, 2012
1EHL
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BU of 1ehl by Molmil
64M-2 ANTIBODY FAB COMPLEXED WITH D(5HT)(6-4)T
分子名称: 5'-(D(5HT)P*(6-4)T)-3', ANTI-(6-4) PHOTOPRODUCT ANTIBODY 64M-2 FAB (HEAVY CHAIN), ANTI-(6-4) PHOTOPRODUCT ANTIBODY 64M-2 FAB (LIGHT CHAIN)
著者Yokoyama, H, Mizutani, R, Satow, Y, Komatsu, Y, Ohtsuka, E, Nikaido, O.
登録日2000-02-21
公開日2001-02-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the 64M-2 antibody Fab fragment in complex with a DNA dT(6-4)T photoproduct formed by ultraviolet radiation.
J.Mol.Biol., 299, 2000
5URM
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BU of 5urm by Molmil
Crystal structure of human BRR2 in complex with T-1206548
分子名称: 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Klein, M.G, Tjhen, R, Qin, L.
登録日2017-02-11
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URJ
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Crystal structure of human BRR2 in complex with T-3905516
分子名称: 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Klein, M.G, Tjhen, R, Qin, L.
登録日2017-02-10
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URK
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BU of 5urk by Molmil
Crystal structure of human BRR2 in complex with T-3935799
分子名称: 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Qin, L, Tjhen, R, Klein, M.G.
登録日2017-02-10
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5DGQ
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BU of 5dgq by Molmil
Crystal structure of GH9 exo-beta-D-glucosaminidase PBPRA0520
分子名称: Putative endoglucanase-related protein, SODIUM ION
著者Suzuki, K, Honda, Y, Fushinobu, S.
登録日2015-08-28
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of an inverting glycoside hydrolase family 9 exo-beta-D-glucosaminidase and the design of glycosynthase.
Biochem.J., 473, 2016
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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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
8W86
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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
8W83
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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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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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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
8H79
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The crystal structure of cyanorhodopsin-II (CyR-II) P7104R from Nodosilinea nodulosa PCC 7104
分子名称: CHLORIDE ION, HEXADECANE, HEXANE, ...
著者Hosaka, T, Kimura-Someya, T, Shirouzu, M.
登録日2022-10-19
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Cyanorhodopsin-II: diverse proton-pumping rhodopsins in the cyanobacterial lineage illuminated by large-scale metagenomic
To Be Published
6P8I
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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
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
5GJF
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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

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