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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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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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: | 2024-01-24 | 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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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 | 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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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 | 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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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: | 2024-01-31 | 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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7P0L
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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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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: | 2024-01-10 | 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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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: | 2024-01-24 | 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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6RMM
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8TSB
| Human PI3K p85alpha/p110alpha 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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.53 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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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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8TS8
| p85alpha/p110alpha heterodimer H1047R mutant | Descriptor: | 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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 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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8TSD
| Human PI3K p85alpha/p110alpha bound to RLY-2608 | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, 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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 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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8TS7
| Human PI3K p85alpha/p110alpha | Descriptor: | 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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.71 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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8TS9
| Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.83 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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8TSC
| Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.62 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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8TU6
| CryoEM structure of PI3Kalpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Valverde, R, Shi, H, Holliday, M. | Deposit date: | 2023-08-15 | Release date: | 2023-11-15 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.12 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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4BU0
| Crystal structure of Rad4 BRCT1,2 in complex with a Crb2 phosphopeptide | Descriptor: | ACETATE ION, DNA REPAIR PROTEIN RHP9, GLYCEROL, ... | Authors: | Qu, M, Rappas, M, Wardlaw, C.P, Garcia, V, Carr, A.M, Oliver, A.W, Du, L.L, Pearl, L.H. | Deposit date: | 2013-06-19 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Phosphorylation-Dependent Assembly and Coordination of the DNA Damage Checkpoint Apparatus by Rad4(Topbp1.). Mol.Cell, 51, 2013
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4BU1
| Crystal structure of Rad4 BRCT1,2 in complex with a Crb2 phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, DNA REPAIR PROTEIN RHP9, GLYCEROL, ... | Authors: | Qu, M, Rappas, M, Wardlaw, C.P, Garcia, V, Carr, A.M, Oliver, A.W, Du, L.L, Pearl, L.H. | Deposit date: | 2013-06-19 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphorylation-Dependent Assembly and Coordination of the DNA Damage Checkpoint Apparatus by Rad4(Topbp1.). Mol.Cell, 51, 2013
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4BMC
| Crystal structure of s.pombe Rad4 BRCT1,2 | Descriptor: | CHLORIDE ION, S-M CHECKPOINT CONTROL PROTEIN RAD4 | Authors: | Meng, Q, Rappas, M, Wardlaw, C.P, Garcia, V, Carr, A.M, Oliver, A.W, Du, L.L, Pearl, L.H. | Deposit date: | 2013-05-07 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Phosphorylation-Dependent Assembly and Coordination of the DNA Damage Checkpoint Apparatus by Rad4(Topbp1.). Mol.Cell, 51, 2013
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4BMD
| Crystal structure of S.pombe Rad4 BRCT3,4 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-M CHECKPOINT CONTROL PROTEIN RAD4 | Authors: | Meng, Q, Rappas, M, Wardlaw, C.P, Garcia, V, Carr, A.M, Oliver, A.W, Du, L.L, Pearl, L.H. | Deposit date: | 2013-05-07 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Phosphorylation-Dependent Assembly and Coordination of the DNA Damage Checkpoint Apparatus by Rad4(Topbp1.). Mol.Cell, 51, 2013
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2RGU
| Crystal structure of complex of human DPP4 and inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4 | Authors: | Nar, H, Himmelsbach, F, Eckhardt, M. | Deposit date: | 2007-10-05 | Release date: | 2007-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes. J.Med.Chem., 50, 2007
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