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4UQO
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BU of 4uqo by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2014-06-24
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
4A6X
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BU of 4a6x by Molmil
RadA C-terminal ATPase domain from Pyrococcus furiosus bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2011-11-10
Release date:2012-11-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
4A6P
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BU of 4a6p by Molmil
RadA C-terminal ATPase domain from Pyrococcus furiosus
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2011-11-08
Release date:2012-11-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
4B2P
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BU of 4b2p by Molmil
RadA C-terminal ATPase domain from Pyrococcus furiosus bound to GTP
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2012-07-17
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
4D6P
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BU of 4d6p by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO AMPPNP
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, MAGNESIUM ION, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
6TW3
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BU of 6tw3 by Molmil
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
6TW4
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BU of 6tw4 by Molmil
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
6TV3
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BU of 6tv3 by Molmil
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
6XTW
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BU of 6xtw by Molmil
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
6TW9
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BU of 6tw9 by Molmil
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
4LUP
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BU of 4lup by Molmil
Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand
Descriptor: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli
Authors:Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G.
Deposit date:2013-07-25
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
6XUF
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BU of 6xuf by Molmil
HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21
Descriptor: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Scott, D.E, Hyvonen, M.E.
Deposit date:2020-01-19
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To be published
6XUJ
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BU of 6xuj by Molmil
HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212
Descriptor: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Scott, D.E, Hyvonen, M.
Deposit date:2020-01-20
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To be published
7QDQ
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BU of 7qdq by Molmil
Crystal Structure of HDM2 in complex with Caylin-1
Descriptor: CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ...
Authors:Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J.
Deposit date:2021-11-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
5J4K
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BU of 5j4k by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid
Descriptor: 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, 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:2016-04-01
Release date:2016-10-26
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.346 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JEC
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BU of 5jec by Molmil
Apo-structure of humanised RadA-mutant humRadA33F
Descriptor: CHLORIDE ION, DNA repair and recombination protein RadA, SULFATE ION
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:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5J4H
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BU of 5j4h by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid
Descriptor: 1H-indole-6-carboxylic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
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:2016-04-01
Release date:2016-10-19
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JED
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BU of 5jed by Molmil
Apo-structure of humanised RadA-mutant humRadA28
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
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:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5J4L
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BU of 5j4l by Molmil
Apo-structure of humanised RadA-mutant humRadA22F
Descriptor: CHLORIDE ION, 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:2016-04-01
Release date:2016-10-19
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JEE
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BU of 5jee by Molmil
Apo-structure of humanised RadA-mutant humRadA26F
Descriptor: CALCIUM ION, 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:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JFG
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BU of 5jfg by Molmil
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:2023-03-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5KDD
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BU of 5kdd by Molmil
Apo-structure of humanised RadA-mutant humRadA22
Descriptor: DNA repair and recombination protein RadA, SULFATE ION
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:2016-06-08
Release date:2016-10-19
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5L8V
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BU of 5l8v by Molmil
Apo-structure of humanised RadA-mutant humRadA4
Descriptor: DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-06-08
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5LB4
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BU of 5lb4 by Molmil
Apo-structure of humanised RadA-mutant humRadA14
Descriptor: DNA repair and recombination protein RadA
Authors:Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-06-15
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5LBI
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BU of 5lbi by Molmil
Apo-structure of humanised RadA-mutant humRadA3
Descriptor: CALCIUM ION, DNA repair and recombination protein RadA
Authors:Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-06-16
Release date:2016-10-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016

 

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