4UW1
 
 | | X-ray crystal structure of human TNKS in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, ... | | Authors: | Oliver, A.W, Rajasekaran, M.B, Pearl, L.H. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1-Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
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4UUH
 | | X-ray crystal structure of human TNKS in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | | Authors: | Oliver, A.W, Rajasekaran, M.B, Pearl, L.H. | | Deposit date: | 2014-07-28 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
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5LOH
 | | Kinase domain of human Greatwall | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ... | | Authors: | Rajasekaran, M.B, Pearl, L.H, Oliver, A.W. | | Deposit date: | 2016-08-09 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct.
Oncotarget, 7, 2016
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6FO1
 | | Human R2TP subcomplex containing 1 RUVBL1-RUVBL2 hexamer bound to 1 RBD domain from RPAP3. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RNA polymerase II-associated protein 3, RuvB-like 1, ... | | Authors: | Martino, F, Munoz-Hernandez, H, Rodriguez, C.F, Pearl, L.H, Llorca, O. | | Deposit date: | 2018-02-05 | | Release date: | 2018-04-04 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | RPAP3 provides a flexible scaffold for coupling HSP90 to the human R2TP co-chaperone complex.
Nat Commun, 9, 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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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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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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3EU7
 | | Crystal Structure of a PALB2 / BRCA2 complex | | Descriptor: | 19meric peptide from Breast cancer type 2 susceptibility protein, GLYCEROL, Partner and localizer of BRCA2 | | Authors: | Oliver, A.W, Pearl, L.H. | | Deposit date: | 2008-10-09 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for recruitment of BRCA2 by PALB2
Embo Rep., 10, 2009
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3G65
 | | Crystal Structure of the Human Rad9-Rad1-Hus1 DNA Damage Checkpoint Complex | | Descriptor: | Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1 | | Authors: | Dore, A.S, Kilkenny, M.L, Rzechorzek, N.J, Pearl, L.H. | | Deposit date: | 2009-02-06 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the rad9-rad1-hus1 DNA damage checkpoint complex--implications for clamp loading and regulation.
Mol.Cell, 34, 2009
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3P23
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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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1UV5
 | | GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME | | Descriptor: | 6-BROMOINDIRUBIN-3'-OXIME, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Dajani, R, Pearl, L.H, Roe, S.M. | | Deposit date: | 2004-01-14 | | Release date: | 2004-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Gsk-3-Selective Inhibitors Derived from Tyrian Purple Indurubins
Chem.Biol., 10, 2003
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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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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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5HY6
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5J3S
 | | Crystal structure of the catalytic domain of human tyrosyl DNA phosphodiesterase 2 in complex with a small molecule inhibitor | | Descriptor: | 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, Tyrosyl-DNA phosphodiesterase 2 | | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | | Deposit date: | 2016-03-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
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5J42
 | | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, GLYCEROL, ... | | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | | Deposit date: | 2016-03-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
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5J3P
 | | Crystal structure of the catalytic domain of human tyrosyl DNA phosphodiesterase 2 | | Descriptor: | GLYCEROL, MAGNESIUM ION, Tyrosyl-DNA phosphodiesterase 2 | | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | | Deposit date: | 2016-03-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
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5J3Z
 | | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, ACETATE ION, ... | | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | | Deposit date: | 2016-03-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
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1USV
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1UNN
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1USU
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1US7
 | | Complex of Hsp90 and P50 | | Descriptor: | HEAT SHOCK PROTEIN HSP82, HSP90 CO-CHAPERONE CDC37 | | Authors: | Roe, S.M, Ali, M.M.U, Pearl, L.H. | | Deposit date: | 2003-11-20 | | Release date: | 2004-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Mechanism of Hsp90 Regulation by the Protein Kinase-Specific Cochaperone p50(Cdc37)
Cell(Cambridge,Mass.), 116, 2004
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