6AFD
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![BU of 6afd by Molmil](/molmil-images/mine/6afd) | 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
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6AFC
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![BU of 6afc by Molmil](/molmil-images/mine/6afc) | 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
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6AF7
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![BU of 6af7 by Molmil](/molmil-images/mine/6af7) | 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
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6AFI
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![BU of 6afi by Molmil](/molmil-images/mine/6afi) | 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
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6AF5
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![BU of 6af5 by Molmil](/molmil-images/mine/6af5) | 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
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6AFG
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![BU of 6afg by Molmil](/molmil-images/mine/6afg) | 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
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6AFH
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![BU of 6afh by Molmil](/molmil-images/mine/6afh) | 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
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6AFA
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![BU of 6afa by Molmil](/molmil-images/mine/6afa) | 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
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6AFE
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![BU of 6afe by Molmil](/molmil-images/mine/6afe) | 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
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6AF9
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![BU of 6af9 by Molmil](/molmil-images/mine/6af9) | |
6AFJ
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![BU of 6afj by Molmil](/molmil-images/mine/6afj) | 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
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6AFF
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![BU of 6aff by Molmil](/molmil-images/mine/6aff) | 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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4TSO
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![BU of 4tso by Molmil](/molmil-images/mine/4tso) | Crystal structure of FraC with DHPC bound (crystal form I) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSP
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![BU of 4tsp by Molmil](/molmil-images/mine/4tsp) | Crystal structure of FraC with DHPC bound (crystal form II) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSL
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![BU of 4tsl by Molmil](/molmil-images/mine/4tsl) | Crystal structure of FraC with POC bound (crystal form I) | Descriptor: | ACETATE ION, FORMIC ACID, Fragaceatoxin C, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSY
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![BU of 4tsy by Molmil](/molmil-images/mine/4tsy) | Crystal structure of FraC with lipids | Descriptor: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, Fragaceatoxin C, HEPTANE-1,2,3-TRIOL, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSN
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![BU of 4tsn by Molmil](/molmil-images/mine/4tsn) | Crystal structure of FraC with POC bound (crystal form II) | Descriptor: | ACETATE ION, Fragaceatoxin C, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSQ
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![BU of 4tsq by Molmil](/molmil-images/mine/4tsq) | Crystal structure of FraC with DHPC bound (crystal form III) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, Fragaceatoxin C, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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5CIP
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![BU of 5cip by Molmil](/molmil-images/mine/5cip) | Crystal Structure of Unbound 4E10 | Descriptor: | FAB 4E10 HEAVY CHAIN, FAB 4E10 LIGHT CHAIN | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2015-07-13 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10 J.Virol., 89, 2015
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5CIL
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![BU of 5cil by Molmil](/molmil-images/mine/5cil) | Crystal Structure of non-neutralizing version of 4E10 (WDWD) with epitope bound | Descriptor: | ACETATE ION, CHLORIDE ION, FAB 4E10 HEAVY CHAIN, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2015-07-13 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10 J.Virol., 89, 2015
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5CIN
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![BU of 5cin by Molmil](/molmil-images/mine/5cin) | Crystal Structure of non-neutralizing version of 4E10 (DeltaLoop) with epitope bound | Descriptor: | CHLORIDE ION, FAB 4E10 HEAVY CHAIN, FAB 4E10 LIGHT CHAIN, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2015-07-13 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10 J.Virol., 89, 2015
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4ZMO
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![BU of 4zmo by Molmil](/molmil-images/mine/4zmo) | |
4ZMY
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![BU of 4zmy by Molmil](/molmil-images/mine/4zmy) | |
4ZMN
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![BU of 4zmn by Molmil](/molmil-images/mine/4zmn) | |
4ZMX
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![BU of 4zmx by Molmil](/molmil-images/mine/4zmx) | |