4UXB
 
 | | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION | | Authors: | Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H. | | Deposit date: | 2014-08-21 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
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4DQY
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7S68
 | | Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break. | | Descriptor: | DNA (5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3'), Fusion of PARP1 zinc fingers 1 and 3 (Zn1, Zn3), ... | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
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4OPX
 | | Structure of Human PARP-1 bound to a DNA double strand break in complex with (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide | | Descriptor: | (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... | | Authors: | Pascal, J.M, Steffen, J.D. | | Deposit date: | 2014-02-06 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.314 Å) | | Cite: | Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors.
J.Med.Chem., 57, 2014
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4OQB
 | | Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide | | Descriptor: | (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... | | Authors: | Pascal, J.M, Steffen, J.D. | | Deposit date: | 2014-02-07 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.362 Å) | | Cite: | Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors.
J.Med.Chem., 57, 2014
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8FYZ
 | | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13) | | Descriptor: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
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7SCZ
 | | Nuc147 bound to multiple BRCTs | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B type 1-J, ... | | Authors: | Muthurajan, U.M, Rudolph, J. | | Deposit date: | 2021-09-29 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The BRCT domain of PARP1 binds intact DNA and mediates intrastrand transfer.
Mol.Cell, 81, 2021
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7S81
 | | Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break. | | Descriptor: | DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3'), Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
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4OQA
 | | Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide | | Descriptor: | (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... | | Authors: | Pascal, J.M, Steffen, J.D. | | Deposit date: | 2014-02-07 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors.
J.Med.Chem., 57, 2014
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8G0H
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5HA9
 | | Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer | | Descriptor: | Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Fu, L, Peng, H, Zhang, L, Ouyang, L. | | Deposit date: | 2015-12-30 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (4.01 Å) | | Cite: | Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
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7SCY
 | | Nuc147 bound to single BRCT | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B type 1-J, ... | | Authors: | Muthurajan, U.M, Rudolph, J.R. | | Deposit date: | 2021-09-29 | | Release date: | 2022-01-12 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | The BRCT domain of PARP1 binds intact DNA and mediates intrastrand transfer.
Mol.Cell, 81, 2021
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2CR9
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2L30
 | | Human PARP-1 zinc finger 1 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | | Deposit date: | 2010-08-30 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
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2JVN
 | | Domain C of human PARP-1 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Hoffman, D, Tao, Z, Liu, H. | | Deposit date: | 2007-09-24 | | Release date: | 2008-05-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Domain C of human poly(ADP-ribose) polymerase-1 is important for enzyme activity and contains a novel zinc-ribbon motif.
Biochemistry, 47, 2008
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2L31
 | | Human PARP-1 zinc finger 2 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | | Deposit date: | 2010-08-30 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
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2N8A
 | | 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | | Descriptor: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | | Deposit date: | 2015-10-08 | | Release date: | 2015-12-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1.
Mol.Cell, 60, 2015
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2DMJ
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2CS2
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2COK
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