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4UW1
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BU of 4uw1 by Molmil
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
2NC9
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BU of 2nc9 by Molmil
Apo solution structure of Hop TPR2A
Descriptor: Stress-induced-phosphoprotein 1
Authors:Darby, J.F, Vidler, L.R, Simpson, P.J, Matthews, S.J, Sharp, S.Y, Pearl, L.H, Hoelder, S, Workman, P.
Deposit date:2016-03-23
Release date:2017-03-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches.
Sci Rep, 10, 2020
6FO1
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BU of 6fo1 by Molmil
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
7Z6H
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BU of 7z6h by Molmil
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
8AG3
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BU of 8ag3 by Molmil
Vaccinia C16 N-terminal domains
Descriptor: Protein C10
Authors:Rivera-Calzada, A, Arribas-Bosacoma, R, Pearl, L.H, Llorca, O.
Deposit date:2022-07-19
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural basis for the inactivation of cytosolic DNA sensing by the vaccinia virus.
Nat Commun, 13, 2022
8AG4
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BU of 8ag4 by Molmil
Vaccinia C16 protein bound to Ku70/Ku80
Descriptor: Protein C10, X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
Authors:Rivera-Calzada, A, Arribas-Bosacoma, R, Pearl, L.H, Llorca, O.
Deposit date:2022-07-19
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Structural basis for the inactivation of cytosolic DNA sensing by the vaccinia virus.
Nat Commun, 13, 2022
8AG5
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BU of 8ag5 by Molmil
Vaccinia C16 protein bound to Ku70/Ku80
Descriptor: Ku70-Xrcc6, Protein C10, X-ray repair cross-complementing protein 5
Authors:Rivera-Calzada, A, Arribas-Bosacoma, R, Pearl, L.H, Llorca, O.
Deposit date:2022-07-19
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural basis for the inactivation of cytosolic DNA sensing by the vaccinia virus.
Nat Commun, 13, 2022
7ZR5
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BU of 7zr5 by Molmil
CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(closed) complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ...
Authors:Oberoi, J, Pearl, L.H.
Deposit date:2022-05-03
Release date:2022-12-14
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation.
Nat Commun, 13, 2022
7ZR0
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BU of 7zr0 by Molmil
CryoEM structure of HSP90-CDC37-BRAF(V600E) complex.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ...
Authors:Oberoi, J, Pearl, L.H.
Deposit date:2022-05-03
Release date:2022-12-14
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation.
Nat Commun, 13, 2022
7ZR6
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BU of 7zr6 by Molmil
CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(open) complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ...
Authors:Oberoi, J, Pearl, L.H.
Deposit date:2022-05-03
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation.
Nat Commun, 13, 2022
6HM3
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BU of 6hm3 by Molmil
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
6HM4
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BU of 6hm4 by Molmil
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
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BU of 6hm5 by Molmil
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
5MG8
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BU of 5mg8 by Molmil
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
3EU7
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BU of 3eu7 by Molmil
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
5ECG
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BU of 5ecg by Molmil
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
3P23
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BU of 3p23 by Molmil
Crystal structure of the Human kinase and RNase domains in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Ali, M.M.U, Pearl, L.H.
Deposit date:2010-10-01
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Ire1 autophosphorylation complex and implications for the unfolded protein response.
Embo J., 30, 2011
1BGQ
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BU of 1bgq by Molmil
RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
Descriptor: HEAT SHOCK PROTEIN 90, RADICICOL
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:1998-05-29
Release date:1999-06-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin.
J.Med.Chem., 42, 1999
7AKO
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BU of 7ako by Molmil
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
7AKM
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BU of 7akm by Molmil
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
6RMM
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BU of 6rmm by Molmil
Crystal structure of TOPBP1 BRCT4,5 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 (3.53 Å)
Cite:Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
6RML
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BU of 6rml by Molmil
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
5HY6
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BU of 5hy6 by Molmil
Spodoptera frugiperda eukaryotic translation initiation factor EIF5A
Descriptor: Eukaryotic translation initiation factor 5A
Authors:Li, A.W.H, Oliver, A.W, Pearl, L.H.
Deposit date:2016-02-01
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.186 Å)
Cite:Structure of Spodoptera frugiperda eukaryotic translation initiation factor EIF5A
To Be Published
5J3S
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BU of 5j3s by Molmil
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
5J42
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BU of 5j42 by Molmil
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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