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5YD4
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BU of 5yd4 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation T6A)
Descriptor: Epitope peptide (mutation T6A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
7W81
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BU of 7w81 by Molmil
Crystal structure of the heme-bound form of the linker-NEAT3 region of IsdH from Staphylococcus aureus
Descriptor: Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING FE
Authors:Caaveiro, J.M.M, Vu, N, Tsumoto, K.
Deposit date:2021-12-07
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and role of the linker domain of the iron surface-determinant protein IsdH in heme transportation in Staphylococcus aureus.
J.Biol.Chem., 298, 2022
5YQ5
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BU of 5yq5 by Molmil
Crystal structure of human osteomodulin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Osteomodulin, PHOSPHATE ION
Authors:Caaveiro, J.M.M, Tashima, T, Tsumoto, K.
Deposit date:2017-11-05
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Molecular basis for governing the morphology of type-I collagen fibrils by Osteomodulin.
Commun Biol, 1, 2018
5YD5
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BU of 5yd5 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation N3A)
Descriptor: Peptide epitope (mutation N3A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YD3
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BU of 5yd3 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide
Descriptor: Epitope peptide, GLYCEROL, SULFATE ION, ...
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YY4
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BU of 5yy4 by Molmil
Crystal structure of the scFv antibody 4B08 with sulfated epitope peptide
Descriptor: C-C chemokine receptor type 5, CHLORIDE ION, SULFATE ION, ...
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-12-07
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Tyrosine Sulfation Restricts the Conformational Ensemble of a Flexible Peptide, Strengthening the Binding Affinity for an Antibody
Biochemistry, 57, 2018
7XLI
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BU of 7xli by Molmil
Crystal structure of IsdB linker-NEAT2 bound to a nanobody (VHH)
Descriptor: CALCIUM ION, CHLORIDE ION, Iron-regulated surface determinant protein B, ...
Authors:Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K.
Deposit date:2022-04-21
Release date:2023-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth.
J.Biol.Chem., 299, 2023
6A77
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BU of 6a77 by Molmil
Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the Fab fragment of murine monoclonal antibody B5209B
Descriptor: Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, Roundabout homolog 1
Authors:Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
6A76
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BU of 6a76 by Molmil
Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody specific for the fifth immunoglobulin domain (Ig5) of human ROBO1
Descriptor: GLYCEROL, Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, ...
Authors:Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
6AFB
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BU of 6afb by Molmil
DJ-1 C106S incubated with isatin
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ...
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6A79
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BU of 6a79 by Molmil
Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the mutant scFv fragment (P103A) of murine monoclonal antibody B5209B
Descriptor: Heavy chain of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ...
Authors:Mizohata, E, Nakayama, T, Kado, Y, Yokota, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
6AFD
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BU of 6afd by Molmil
DJ-1 with compound 6
Descriptor: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFH
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BU of 6afh by Molmil
DJ-1 with compound 10
Descriptor: 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6A78
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BU of 6a78 by Molmil
Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the scFv fragment of murine monoclonal antibody B5209B
Descriptor: Heavy chain and linker region of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ...
Authors:Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
6AFA
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BU of 6afa by Molmil
DJ-1 with isatin (low concentration)
Descriptor: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFE
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BU of 6afe by Molmil
DJ-1 with compound 7
Descriptor: 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF9
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BU of 6af9 by Molmil
DJ-1 with isatin bound (high concentration)
Descriptor: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFJ
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BU of 6afj by Molmil
DJ-1 with compound 13
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFF
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BU of 6aff by Molmil
DJ-1 with compound 8
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
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數據於2024-07-10公開中

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