6YHR
| Crystal structure of Werner syndrome helicase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION | Authors: | Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-03-30 | Release date: | 2020-04-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers. Life Sci Alliance, 4, 2021
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7NN0
| Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | Deposit date: | 2021-02-23 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7NNG
| Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104 | Descriptor: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | Deposit date: | 2021-02-24 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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4U7D
| Structure of human RECQ-like helicase in complex with an oligonucleotide | Descriptor: | ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION | Authors: | Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-30 | Release date: | 2015-01-21 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures. Proc.Natl.Acad.Sci.USA, 112, 2015
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3B76
| Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase LNX, SODIUM ION | Authors: | Ugochukwu, E, Burgess-Brown, N, Berridge, G, Elkins, J, Bunkoczi, G, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Gileadi, O, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-30 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor. To be Published
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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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7Q5W
| The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures Structure, 2024
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7Q63
| The tandem SH2 domains of SYK | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-05 | Release date: | 2021-11-24 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures Structure, 2024
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7Q5T
| The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures Structure, 2024
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7Q5U
| The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures Structure, 2024
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8C8B
| Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48). | Descriptor: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-19 | Release date: | 2024-01-31 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8C8S
| Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). | Descriptor: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-20 | Release date: | 2024-01-31 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8C8D
| Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44). | Descriptor: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-19 | Release date: | 2024-01-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8CEW
| Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1 | Descriptor: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8CF0
| Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2 | Descriptor: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8CG9
| Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor | Descriptor: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-02-03 | Release date: | 2024-02-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8PDJ
| The phosphatase and C2 domains of SHIP1 with covalent Z56948267 | Descriptor: | 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-06-28 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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8PDH
| The phosphatase and C2 domains of SHIP1 with covalent Z1742148362 | Descriptor: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-06-28 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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8PDG
| The phosphatase and C2 domains of SHIP1 with covalent Z2738285202 | Descriptor: | DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide | Authors: | Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-06-28 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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8PDI
| The phosphatase and C2 domains of SHIP1 with covalent Z1763271112 | Descriptor: | (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-07-26 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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3KVW
| Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | Descriptor: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-01-05 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand To be Published
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5NZW
| Crystal structure of DNA cross-link repair protein 1A in complex with ceftriaxone | Descriptor: | Ceftriaxone, DNA cross-link repair 1A protein, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of DNA cross-link repair protein 1A in complex with ceftriaxone To Be Published
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2OCS
| The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) | Descriptor: | 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2, THIOCYANATE ION | Authors: | Papagrigoriou, E, Phillips, C, Gileadi, C, Elkins, J, Salah, E, Berridge, G, Savitsky, P, Gorrec, F, Umeano, C, Ugochukwu, E, Gileadi, O, Burgess, N, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-21 | Release date: | 2007-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) To be Published
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5MR1
| Crystal structure of the Pleckstrin homology domain of Interactor protein for cytohesin exchange factors 1 (IPCEF1) | Descriptor: | Interactor protein for cytohesin exchange factors 1 | Authors: | Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2016-12-21 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the Pleckstrin homology domain of Interactor protein for cytohesin exchange factors 1 (IPCEF1) To be published
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5NZX
| Crystal structure of DNA cross-link repair protein 1A in complex with Ceftriaxone (alternative site) | Descriptor: | Ceftriaxone, DNA cross-link repair 1A protein, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal structure of DNA cross-link repair protein 1A in complex with Ceftriaxone (alternative site) To Be Published
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