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2ZPX
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BU of 2zpx by Molmil
TNF Receptor Subtype One-selective TNF Mutant with Antagonistic Activity; R1antTNF-T8
分子名称: Tumor necrosis factor
著者Mukai, Y, Nakamura, T, Yamagata, Y, Tsutsumi, Y.
登録日2008-07-29
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Fast binding kinetics and conserved 3D structure underlie the antagonistic activity of mutant TNF: useful information for designing artificial proteo-antagonists
J.Biochem., 146, 2009
3A4X
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BU of 3a4x by Molmil
Crystal structures of catalytic site mutants of active domain 2 of thermostable chitinase from Pyrococcus furiosus complexed with chito-oligosaccharides
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase, GLYCEROL, ...
著者Tsuji, H, Nishimura, S, Inui, T, Ishikawa, K, Nakamura, T, Uegaki, K.
登録日2009-07-22
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Kinetic and crystallographic analyses of the catalytic domain of chitinase from Pyrococcus furiosus- the role of conserved residues in the active site
Febs J., 277, 2010
3A4W
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BU of 3a4w by Molmil
Crystal structures of catalytic site mutants of active domain 2 of thermostable chitinase from Pyrococcus furiosus complexed with chito-oligosaccharides
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, MAGNESIUM ION, ...
著者Tsuji, H, Nishimura, S, Inui, T, Ishikawa, K, Nakamura, T, Uegaki, K.
登録日2009-07-22
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and crystallographic analyses of the catalytic domain of chitinase from Pyrococcus furiosus- the role of conserved residues in the active site
Febs J., 277, 2010
3VP9
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BU of 3vp9 by Molmil
Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p mutant
分子名称: 1,4-DIETHYLENE DIOXIDE, General transcriptional corepressor TUP1
著者Matsumura, H, Kusaka, N, Nakamura, T, Tanaka, N, Sagegami, K, Uegaki, K, Inoue, T, Mukai, Y.
登録日2012-02-28
公開日2012-06-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p and its functional implications
J.Biol.Chem., 287, 2012
3VP8
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Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p
分子名称: General transcriptional corepressor TUP1
著者Matsumura, H, Kusaka, N, Nakamura, T, Tanaka, N, Sagegami, K, Uegaki, K, Inoue, T, Mukai, Y.
登録日2012-02-28
公開日2012-06-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p and its functional implications
J.Biol.Chem., 287, 2012
3WUC
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BU of 3wuc by Molmil
X-ray crystal structure of Xenopus laevis galectin-Va
分子名称: Galectin, MALONIC ACID, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T.
登録日2014-04-23
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1.
Glycobiology, 25, 2015
3WUD
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BU of 3wud by Molmil
X-ray crystal structure of Xenopus laevis galectin-Ib
分子名称: Galectin, SULFATE ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T.
登録日2014-04-23
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1.
Glycobiology, 25, 2015
3ALQ
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BU of 3alq by Molmil
Crystal structure of TNF-TNFR2 complex
分子名称: COBALT (II) ION, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1B
著者Mukai, Y, Nakamura, T, Yamagata, Y, Tsutsumi, Y.
登録日2010-08-06
公開日2010-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Solution of the Structure of the TNF-TNFR2 Complex
Sci.Signal., 3, 2010
5ZSS
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BU of 5zss by Molmil
L-Cysteine-PLP reaction intermediate of NifS from Hydrogenimonas thermophila
分子名称: Cysteine desulfurase, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
著者Nakamura, T, Fujishiro, T, Takahashi, Y.
登録日2018-04-29
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献X-ray snapshots of two classes of cysteine desulfurase enzymes NifS and SufS
to be published
8H3M
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BU of 8h3m by Molmil
Conformation 1 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy chain, Spike glycoprotein
著者Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y.
登録日2022-10-09
公開日2023-05-10
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
8H3N
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BU of 8h3n by Molmil
Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy-chain, MO1 light chain, ...
著者Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y.
登録日2022-10-09
公開日2023-05-10
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
8DOY
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BU of 8doy by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ...
著者Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
登録日2022-07-14
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Potent and biostable inhibitors of the main protease of SARS-CoV-2.
Iscience, 25, 2022
8DOX
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BU of 8dox by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
登録日2022-07-14
公開日2022-09-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
8DPR
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BU of 8dpr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248
分子名称: 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
登録日2022-07-16
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
3L85
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BU of 3l85 by Molmil
Crystal structure of human NUDT5 complexed with 8-oxo-dGMP
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, ADP-sugar pyrophosphatase
著者Arimori, T, Yamagata, Y.
登録日2009-12-29
公開日2011-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Diverse substrate recognition and hydrolysis mechanisms of human NUDT5
Nucleic Acids Res., 39, 2011
8JJE
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BU of 8jje by Molmil
RBD of SARS-CoV2 spike protein with ACE2 decoy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Kishikawa, J, Hirose, M, Kato, T, Okamoto, T.
登録日2023-05-30
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
8UH8
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BU of 8uh8 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V (Apo structure)
分子名称: ORF1a polyprotein
著者Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
登録日2023-10-07
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH5
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BU of 8uh5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
著者Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
登録日2023-10-06
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH9
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BU of 8uh9 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
著者Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
登録日2023-10-07
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.067 Å)
主引用文献TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
6L67
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BU of 6l67 by Molmil
X-ray structure of human galectin-10 in complex with D-galactose
分子名称: Galectin-10, beta-D-galactopyranose
著者Kamitori, S.
登録日2019-10-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
6L6D
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BU of 6l6d by Molmil
X-ray structure of human galectin-10 in complex with D-N-acetylgalactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, Galectin-10
著者Kamitori, S.
登録日2019-10-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
6L6B
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BU of 6l6b by Molmil
X-ray structure of human galectin-10 in complex with L-fucose
分子名称: Galectin-10, beta-L-fucopyranose
著者Kamitori, S.
登録日2019-10-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
6L6C
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BU of 6l6c by Molmil
X-ray structure of human galectin-10 in complex with D-arabinose
分子名称: Galectin-10, alpha-D-arabinopyranose
著者Kamitori, S.
登録日2019-10-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
6L64
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BU of 6l64 by Molmil
X-ray structure of human galectin-10 in complex with D-glucose
分子名称: Galectin-10, beta-D-glucopyranose
著者Kamitori, S.
登録日2019-10-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
6L6A
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BU of 6l6a by Molmil
X-ray structure of human galectin-10 in complex with D-mannose
分子名称: Galectin-10, beta-D-mannopyranose
著者Kamitori, S.
登録日2019-10-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020

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