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4ZMQ
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BU of 4zmq by Molmil
Crystal structure of human P-cadherin (ss-X-dimer)
分子名称: CALCIUM ION, Cadherin-3, PENTAETHYLENE GLYCOL
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMW
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BU of 4zmw by Molmil
Crystal structure of human P-cadherin (enc-X-dimer)
分子名称: CALCIUM ION, Cadherin-3, NICKEL (II) ION, ...
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
7CYM
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BU of 7cym by Molmil
Crystal structure of LI-Cadherin EC1-4
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, CALCIUM ION, ...
著者Caaveiro, J.M.M, Yui, A, Tsumoto, K.
登録日2020-09-03
公開日2021-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism of dimerization and structural features of human LI-cadherin.
J.Biol.Chem., 297, 2021
3CPO
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BU of 3cpo by Molmil
Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol
分子名称: 2-fluorophenol, Delta(5)-3-ketosteroid isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.
登録日2008-03-31
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
6LDW
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BU of 6ldw by Molmil
Structure of antibody C9 in complex with methylated peptide
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
6LDV
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BU of 6ldv by Molmil
Structure antibody F9 in complex with methylated peptide
分子名称: Fab heavy chain, Fab light chain, GLY-M3L-GLY-GLY-THR-TYR-PRO, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
4W4N
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BU of 4w4n by Molmil
Crystal structure of human Fc at 1.80 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
登録日2014-08-15
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
4W4O
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BU of 4w4o by Molmil
High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
登録日2014-08-15
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
5X08
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BU of 5x08 by Molmil
Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound
分子名称: ACETATE ION, CHLORIDE ION, Envelope glycoprotein gp160, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K.
登録日2017-01-20
公開日2017-04-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane
J. Mol. Biol., 429, 2017
8YX9
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BU of 8yx9 by Molmil
CD40 in complex with Dacetuzumab Fab
分子名称: Dacetuzumab, Heavy chain, light chain, ...
著者Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
登録日2024-04-02
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of human CD40 in complex with monoclonal antibodies dacetuzumab and bleselumab.
Biochem.Biophys.Res.Commun., 714, 2024
8YX1
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BU of 8yx1 by Molmil
CD40 in complex with Bleselumab Fab
分子名称: Bleselumab, heavy chain, light chain, ...
著者Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
登録日2024-04-01
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of human CD40 in complex with monoclonal antibodies dacetuzumab and bleselumab.
Biochem.Biophys.Res.Commun., 714, 2024
7EKB
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BU of 7ekb by Molmil
Crystal structure of 4E10 modified with pyrene acetamide
分子名称: ACETATE ION, Fab region of the heavy chain of broadly neutralizing antibody anti-HIV-1 4E10, Fab region of the light chain of the broadly neutralizing anti-HIV-1 antibody 4E10, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
7EKK
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BU of 7ekk by Molmil
Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide
分子名称: AMMONIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
7EV1
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BU of 7ev1 by Molmil
Crystal structure of LI-Cadherin EC1-2
分子名称: ACETATE ION, CALCIUM ION, Cadherin-17, ...
著者Caaveiro, J.M.M, Yui, A, Tsumoto, K.
登録日2021-05-19
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mechanism of dimerization and structural features of human LI-cadherin.
J.Biol.Chem., 297, 2021
3VGN
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BU of 3vgn by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol
分子名称: 3-fluoro-4-nitrophenol, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A.
登録日2011-08-16
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110, 2013
3VSY
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BU of 3vsy by Molmil
High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
分子名称: SULFATE ION, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Kobe, A, Tsumoto, K.
登録日2012-05-16
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Incorporation of rapid thermodynamic data in fragment-based drug discovery.
J.Med.Chem., 56, 2013
6AFB
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BU of 6afb by Molmil
DJ-1 C106S incubated with isatin
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ...
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFL
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BU of 6afl by Molmil
DJ-1 with compound 15
分子名称: 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFD
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BU of 6afd by Molmil
DJ-1 with compound 6
分子名称: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFC
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BU of 6afc by Molmil
DJ-1 with compound 4
分子名称: 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF7
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BU of 6af7 by Molmil
DJ-1 C106S unbound
分子名称: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFI
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BU of 6afi by Molmil
DJ-1 with compound 11
分子名称: 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF5
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BU of 6af5 by Molmil
DJ-1 after backsoaking
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFG
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BU of 6afg by Molmil
DJ-1 with compound 9
分子名称: 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
7WKI
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BU of 7wki by Molmil
Structure of the ultra-affinity complex between CFH and a nanobody
分子名称: Anti-CFH nanobody (VHH), Complement factor H
著者Caaveiro, J.M.M, Yokoo, T, Tsumoto, K.
登録日2022-01-10
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Antibody recognition of complement factor H reveals a flexible loop involved in atypical hemolytic uremic syndrome pathogenesis.
J.Biol.Chem., 298, 2022

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