8C1G
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![BU of 8c1g by Molmil](/molmil-images/mine/8c1g) | Aurora A kinase in complex with TPX2-inhibitor 7 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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3IF9
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![BU of 3if9 by Molmil](/molmil-images/mine/3if9) | Crystal structure of Glycine Oxidase G51S/A54R/H244A mutant in complex with inhibitor glycolate | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCOLIC ACID, Glycine oxidase | Authors: | Pedotti, M, Rosini, E, Molla, G, Moschetti, T, Vallone, B, Savino, C, Pollegioni, L. | Deposit date: | 2009-07-24 | Release date: | 2009-10-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Glyphosate resistance by engineering the flavoenzyme glycine oxidase. J.Biol.Chem., 284, 2009
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6XTW
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![BU of 6xtw by Molmil](/molmil-images/mine/6xtw) | HumRadA33F in complex with peptidic inhibitor 6 | Descriptor: | DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-16 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6TW4
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![BU of 6tw4 by Molmil](/molmil-images/mine/6tw4) | HumRadA22F in complex with compound 6 | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | Authors: | Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-12 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6TW9
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![BU of 6tw9 by Molmil](/molmil-images/mine/6tw9) | HumRadA22F in complex with CAM833 | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ... | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-12 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6TV3
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![BU of 6tv3 by Molmil](/molmil-images/mine/6tv3) | HumRadA1 in complex with 3-amino-2-naphthoic acid | Descriptor: | 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ... | Authors: | Marsh, M.E, Hyvonen, M. | Deposit date: | 2020-01-08 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6TW3
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![BU of 6tw3 by Molmil](/molmil-images/mine/6tw3) | HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera | Descriptor: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-12 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.352 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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4O1T
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![BU of 4o1t by Molmil](/molmil-images/mine/4o1t) | Crystal structure of murine neuroglobin mutant F106W | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Avella, G, Savino, C, Vallone, B. | Deposit date: | 2013-12-16 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4O2G
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![BU of 4o2g by Molmil](/molmil-images/mine/4o2g) | Crystal structure of carbomonoxy murine neuroglobin mutant V140W | Descriptor: | CARBON MONOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Avella, G, Savino, C, Vallone, B. | Deposit date: | 2013-12-17 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4NZI
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![BU of 4nzi by Molmil](/molmil-images/mine/4nzi) | Crystal structure of murine neuroglobin mutant V140W | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Avella, G, Savino, C, Vallone, B. | Deposit date: | 2013-12-12 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4O35
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![BU of 4o35 by Molmil](/molmil-images/mine/4o35) | Crystal structure of carbomonoxy murine neuroglobin mutant F106W | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, Neuroglobin, ... | Authors: | Avella, G, Savino, C, Vallone, B. | Deposit date: | 2013-12-18 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4MU5
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![BU of 4mu5 by Molmil](/molmil-images/mine/4mu5) | Crystal structure of murine neuroglobin mutant M144W | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Vallone, B, Avella, G, Savino, C, Ardiccioni, C, Brunori, M. | Deposit date: | 2013-09-20 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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8C15
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![BU of 8c15 by Molmil](/molmil-images/mine/8c15) | Aurora A kinase in complex with TPX2-inhibitor 3 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agents To be published
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5JFG
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![BU of 5jfg by Molmil](/molmil-images/mine/5jfg) | Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ... | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Humanisation of RadA from Pyrococcus furiosus To Be Published
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