5RM1
 
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412 | | Descriptor: | Helicase, N-[4-(aminomethyl)phenyl]methanesulfonamide, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RMK
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153 | | Descriptor: | Helicase, N-methyl-1H-indole-7-carboxamide, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RLB
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z216450634 | | Descriptor: | Helicase, N-cycloheptyl-N-methylmethanesulfonamide, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RLP
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z166605480 | | Descriptor: | (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.562 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RMA
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z321318226 | | Descriptor: | Helicase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RLM
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1650168321 | | Descriptor: | Helicase, N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (1.858 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RM3
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1745658474 | | Descriptor: | 2-(trifluoromethyl)pyrimidine-5-carboxamide, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RMG
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285675722 | | Descriptor: | 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.115 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RLD
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19735981 | | Descriptor: | 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RLZ
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2293643386 | | Descriptor: | (3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RM7
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z69118333 | | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RMM
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with POB0066 | | Descriptor: | (3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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7QGI
 | | Crystal structure of SARS-CoV-2 NSP14 in the absence of NSP10 | | Descriptor: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | | Deposit date: | 2021-12-08 | | Release date: | 2022-01-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development.
Nucleic Acids Res., 51, 2023
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7QIF
 | | Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG. | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | | Deposit date: | 2021-12-14 | | Release date: | 2022-02-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development.
Nucleic Acids Res., 51, 2023
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4UNO
 | | Crystal structure of the ETS domain of human ETV5 in complex with DNA | | Descriptor: | 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', CALCIUM ION, ... | | Authors: | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, Shrestha, L, Burgess-Brown, N, Kopec, J, Fitzpatrick, F, Tallant, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O. | | Deposit date: | 2014-05-29 | | Release date: | 2014-06-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
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4UUV
 | | Structure of the DNA binding ETS domain of human ETV4 in complex with DNA | | Descriptor: | 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', ETS TRANSLOCATION VARIANT 4 | | Authors: | Newman, J.A, Cooper, C.D.O, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2014-07-31 | | Release date: | 2014-08-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
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7A1F
 | | Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ... | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-08-12 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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7ABS
 | | Structure of human DCLRE1C/Artemis in complex with DNA - re-evaluation of 6WO0 | | Descriptor: | DNA (5'-D(*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*GP*CP*T)-3'), Protein artemis, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-08 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
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7B2X
 | | Crystal structure of human 5' exonuclease Appollo H61Y variant | | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-11-28 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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7B9B
 | | Crystal structure of human 5' exonuclease Appollo APO form | | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-12-14 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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6H3A
 | | Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain. | | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta, ZINC ION | | Authors: | Newman, J.A, Aitkenhead, H, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2018-07-17 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (5.505 Å) | | Cite: | A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin.
Structure, 27, 2019
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6QB5
 | | Crystal structure of the N-terminal region of human cohesin subunit STAG1 | | Descriptor: | Cohesin subunit SA-1, SODIUM ION | | Authors: | Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2018-12-20 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
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6QU1
 | | Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain at 3.7 angstrom resolution. | | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta,Transcription intermediary factor 1-beta, ZINC ION | | Authors: | Newman, J.A, Aitkenhead, H, Gavard, A, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-02-26 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin.
Structure, 2019
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6R7O
 | | Crystal structure of the central region of human cohesin subunit STAG1 | | Descriptor: | Cohesin subunit SA-1 | | Authors: | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-03-29 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
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6RRK
 | | Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide | | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog | | Authors: | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-20 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
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