5J3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j3p by Molmil](/molmil-images/mine/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
|
|
5J3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j3z by Molmil](/molmil-images/mine/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
|
|
7Z6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z6h by Molmil](/molmil-images/mine/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
|
|
5MG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mg8 by Molmil](/molmil-images/mine/5mg8) | Crystal structure of the S.pombe Smc5/6 hinge domain | Descriptor: | GLYCEROL, SULFATE ION, Structural maintenance of chromosomes protein 5, ... | Authors: | Alt, A, Pearl, L.H, Oliver, A.W. | Deposit date: | 2016-11-21 | Release date: | 2017-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Specialized interfaces of Smc5/6 control hinge stability and DNA association. Nat Commun, 8, 2017
|
|
5LOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5loh by Molmil](/molmil-images/mine/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
|
|
4BMC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bmc by Molmil](/molmil-images/mine/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
|
|
4BMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bmd by Molmil](/molmil-images/mine/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
|
|
4BU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bu0 by Molmil](/molmil-images/mine/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
|
|
4BU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bu1 by Molmil](/molmil-images/mine/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
|
|
2WTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wtd by Molmil](/molmil-images/mine/2wtd) | Crystal structure of Chk2 in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, ... | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-15 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
|
|
2WTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wtj by Molmil](/molmil-images/mine/2wtj) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE, CHECKPOINT KINASE 2, ... | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-16 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
|
|
2WTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wti by Molmil](/molmil-images/mine/2wti) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE, CHECKPOINT KINASE 2, ... | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-16 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
|
|
2XNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xnh by Molmil](/molmil-images/mine/2xnh) | |
2XNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xnk by Molmil](/molmil-images/mine/2xnk) | |
2XBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xbj by Molmil](/molmil-images/mine/2xbj) | Crystal Structure of Chk2 in complex with an inhibitor | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ... | Authors: | Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D. | Deposit date: | 2010-04-12 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
|
|
2XM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xm9 by Molmil](/molmil-images/mine/2xm9) | Structure of a small molecule inhibitor with the kinase domain of Chk2 | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-07-26 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
|
|
2WTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wtc by Molmil](/molmil-images/mine/2wtc) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-15 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
|
|
2XM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xm8 by Molmil](/molmil-images/mine/2xm8) | Co-crystal structure of a small molecule inhibitor bound to the kinase domain of Chk2 | Descriptor: | 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-07-26 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
|
|
6HM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hm4 by Molmil](/molmil-images/mine/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
|
|
6HM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hm5 by Molmil](/molmil-images/mine/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
|
|
6HM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hm3 by Molmil](/molmil-images/mine/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
|
|
3ZVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zvn by Molmil](/molmil-images/mine/3zvn) | The structural basis for substrate recognition by mammalian polynucleotide kinase 3' phosphatase | Descriptor: | 5'-D(*GP*TP*CP*AP*CP)-3', ADENOSINE-5'-DIPHOSPHATE, BIFUNCTIONAL POLYNUCLEOTIDE PHOSPHATASE/KINASE, ... | Authors: | Garces, F, Pearl, L.H, Oliver, A.W. | Deposit date: | 2011-07-25 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The structural basis for substrate recognition by mammalian polynucleotide kinase 3' phosphatase. Mol. Cell, 44, 2011
|
|
4AV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4av1 by Molmil](/molmil-images/mine/4av1) | Crystal structure of the human PARP-1 DNA binding domain in complex with DNA | Descriptor: | 5'-D(*AP*AP*GP*TP*GP*TP*TP*GP*CP*AP*TP*TP)-3', 5'-D(*TP*AP*AP*TP*GP*CP*AP*AP*CP*AP*CP*TP)-3', POLY [ADP-RIBOSE] POLYMERASE 1, ... | Authors: | Ali, A.A.E, Timinszky, G, Arribas-Bosacoma, R, Kozlowski, M, Hassa, P.O, Hassler, M, Ladurner, A.G, Pearl, L.H, Oliver, A.W. | Deposit date: | 2012-05-23 | Release date: | 2012-06-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Zinc-Finger Domains of Parp1 Cooperate to Recognise DNA Strand-Breaks Nat.Struct.Mol.Biol., 19, 2012
|
|
4BDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bdf by Molmil](/molmil-images/mine/4bdf) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 5-METHYL-3-PHENYL-1H-PYRAZOLE, NITRATE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
|
|
4BDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bdi by Molmil](/molmil-images/mine/4bdi) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide, CHLORIDE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
|
|