7NIY
 
 | | E. coli NfsA with FMN | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Day, M.D, Jarrom, D, Hyde, E.I, White, S.A. | | Deposit date: | 2021-02-14 | | Release date: | 2021-07-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
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7NNX
 | | E. coli NfsA with 1,4-benzoquinone | | Descriptor: | 1,2-ETHANEDIOL, 1,4-benzoquinone, CHLORIDE ION, ... | | Authors: | Day, M.D, Jarrom, D, Hyde, E.I, White, S.A. | | Deposit date: | 2021-02-25 | | Release date: | 2021-07-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
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7NMP
 | | E. coli NfsA with hydroquinone | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Day, M.D, Jarrom, D, Parr, R.J, Hyde, E.I, White, S.A. | | Deposit date: | 2021-02-23 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
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7AKO
 | | Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, Claspin, STAUROSPORINE, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2020-10-01 | | Release date: | 2021-04-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
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7AKM
 | | Crystal structure of CHK1 kinase domain in complex with ATPyS | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2020-10-01 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
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8OK2
 | | Bipartite interaction of TOPBP1 with the GINS complex | | Descriptor: | DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2023-03-26 | | Release date: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | TopBP1 utilises a bipartite GINS binding mode to support genome replication.
Nat Commun, 15, 2024
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6RML
 | | Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide | | Descriptor: | 53BP1, DNA topoisomerase 2-binding protein 1 | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2019-05-07 | | Release date: | 2019-06-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
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8OG3
 | | E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. | | Deposit date: | 2023-03-17 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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7Z6H
 | | Structure of DNA-bound human RAD17-RFC clamp loader and 9-1-1 checkpoint clamp | | Descriptor: | Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1,Cell cycle checkpoint protein RAD17, Checkpoint protein HUS1, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2022-03-11 | | Release date: | 2022-05-04 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Structure of the human RAD17-RFC clamp loader and 9-1-1 checkpoint clamp bound to a dsDNA-ssDNA junction.
Nucleic Acids Res., 50, 2022
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8AJX
 | | E. coli NfsA with Fumarate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FUMARIC ACID, ... | | Authors: | Day, M.A, Jarrom, D, White, S.A, Hyde, E.I. | | Deposit date: | 2022-07-28 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Oxygen-insensitive nitroreductase E. coli NfsA, but not NfsB, is inhibited by fumarate.
Proteins, 91, 2023
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8C5P
 | | E. coli NfsB mutant N71S T41L with acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Day, M.A, White, S.A, Hyde, E.I. | | Deposit date: | 2023-01-10 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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7P0J
 | | Crystal structure of S.pombe Mdb1 BRCT domains | | Descriptor: | CITRIC ACID, DNA damage response protein Mdb1, MAGNESIUM ION, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2021-06-29 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
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7P0L
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8CCV
 | | E. coli NfsB mutant T41LN71S with nicotinate | | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. | | Deposit date: | 2023-01-27 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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5ECG
 | | Crystal structure of the BRCT domains of 53BP1 in complex with p53 and H2AX-pSer139 (gammaH2AX) | | Descriptor: | Cellular tumor antigen p53, SEP-GLN-GLU-TYR, Tumor suppressor p53-binding protein 1, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2015-10-20 | | Release date: | 2015-12-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | ATM Localization and Heterochromatin Repair Depend on Direct Interaction of the 53BP1-BRCT2 Domain with gamma H2AX.
Cell Rep, 13, 2015
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6HM5
 | | Crystal structure of TOPBP1 BRCT0,1,2 in complex with a RAD9 phosphopeptide | | Descriptor: | Cell cycle checkpoint control protein RAD9A, DNA topoisomerase II binding protein 1 | | Authors: | Day, M, Rappas, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2018-09-12 | | Release date: | 2018-10-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.330038 Å) | | Cite: | BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
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6HM4
 | | Crystal structure of Rad4 BRCT1,2 in complex with a Mdb1 phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA damage response protein Mdb1, ... | | Authors: | Day, M, Rappas, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2018-09-12 | | Release date: | 2018-10-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.770186 Å) | | Cite: | BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
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6HM3
 | | Crystal structure of Rad4 BRCT1,2 in complex with a Sld3 phosphopeptide | | Descriptor: | CALCIUM ION, DNA replication regulator sld3, GLYCEROL, ... | | Authors: | Day, M, Rappas, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2018-09-12 | | Release date: | 2018-10-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.77263618 Å) | | Cite: | BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
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8QPO
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6RMM
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8QES
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1CAA
 | | X-RAY CRYSTAL STRUCTURES OF THE OXIDIZED AND REDUCED FORMS OF THE RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS | | Descriptor: | FE (III) ION, RUBREDOXIN | | Authors: | Day, M.W, Hsu, B.T, Joshua-Tor, L, Park, J.B, Zhou, Z.H, Adams, M.W.W, Rees, D.C. | | Deposit date: | 1992-05-18 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structures of the oxidized and reduced forms of the rubredoxin from the marine hyperthermophilic archaebacterium Pyrococcus furiosus.
Protein Sci., 1, 1992
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1CAD
 | | X-RAY CRYSTAL STRUCTURES OF THE OXIDIZED AND REDUCED FORMS OF THE RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS | | Descriptor: | FE (III) ION, RUBREDOXIN | | Authors: | Day, M.W, Hsu, B.T, Joshua-Tor, L, Park, J.B, Zhou, Z.H, Adams, M.W.W, Rees, D.C. | | Deposit date: | 1992-05-18 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structures of the oxidized and reduced forms of the rubredoxin from the marine hyperthermophilic archaebacterium Pyrococcus furiosus.
Protein Sci., 1, 1992
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7NB9
 | | E. coli NfsA with nitrofurantoin | | Descriptor: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Day, M.D, Jarrom, D, Grainger, A.I, Parr, R.J, Hyde, E.I, White, S.A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
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8TSA
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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