4MTC
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![BU of 4mtc by Molmil](/molmil-images/mine/4mtc) | Crystal structure of human C53A DJ-1 | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-19 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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4N12
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![BU of 4n12 by Molmil](/molmil-images/mine/4n12) | Crystal structure of human E18D DJ-1 in complex with Cu | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-10-03 | Release date: | 2014-03-05 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.478 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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4MNT
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![BU of 4mnt by Molmil](/molmil-images/mine/4mnt) | Crystal structure of human DJ-1 in complex with Cu | Descriptor: | COPPER (II) ION, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-11 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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4N0M
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![BU of 4n0m by Molmil](/molmil-images/mine/4n0m) | Crystal structure of human C53A DJ-1 in complex with Cu | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-10-02 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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8BJM
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![BU of 8bjm by Molmil](/molmil-images/mine/8bjm) | |
7OY5
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![BU of 7oy5 by Molmil](/molmil-images/mine/7oy5) | Crystal structure of GSK3Beta in complex with ARN25068 | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. | Deposit date: | 2021-06-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022
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7OY6
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![BU of 7oy6 by Molmil](/molmil-images/mine/7oy6) | Crystal structure of human DYRK1A in complex with ARN25068 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | Deposit date: | 2021-06-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022
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6HK4
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![BU of 6hk4 by Molmil](/molmil-images/mine/6hk4) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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6HK3
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![BU of 6hk3 by Molmil](/molmil-images/mine/6hk3) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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6HK7
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![BU of 6hk7 by Molmil](/molmil-images/mine/6hk7) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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7U36
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![BU of 7u36 by Molmil](/molmil-images/mine/7u36) | Crystal structure of human GSK3B in complex with ARN1484 | Descriptor: | (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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7U31
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![BU of 7u31 by Molmil](/molmil-images/mine/7u31) | Crystal structure of human GSK3B in complex with G5 | Descriptor: | 5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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7U33
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![BU of 7u33 by Molmil](/molmil-images/mine/7u33) | Crystal structure of human GSK3B in complex with ARN9133 | Descriptor: | 3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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7U2Z
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![BU of 7u2z by Molmil](/molmil-images/mine/7u2z) | Crystal structure of human GSK3B in complex with G12 | Descriptor: | (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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3ECW
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![BU of 3ecw by Molmil](/molmil-images/mine/3ecw) | |
3ECV
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![BU of 3ecv by Molmil](/molmil-images/mine/3ecv) | |
3ECU
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![BU of 3ecu by Molmil](/molmil-images/mine/3ecu) | |
3RE0
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![BU of 3re0 by Molmil](/molmil-images/mine/3re0) | Crystal structure of human apo Cu,Zn superoxide dismutase (SOD1) complexed with cisplatin | Descriptor: | Cisplatin, Superoxide dismutase [Cu-Zn] | Authors: | Bertini, I, Blazevits, O, Calderone, V, Jaifei, M, Vieru, M, Amori, I, Cozzolino, M, Carri, M.T, Banci, L. | Deposit date: | 2011-04-02 | Release date: | 2012-04-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Interaction of cisplatin with human superoxide dismutase. J.Am.Chem.Soc., 134, 2012
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