7S6M
 
 | |
7S81
 | | Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break. | | 分子名称: | DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3'), Poly [ADP-ribose] polymerase 1, ZINC ION | | 著者 | Rouleau-Turcotte, E, Pascal, J.M. | | 登録日 | 2021-09-17 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
|
|
8FYZ
 | | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13) | | 分子名称: | (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, ... | | 著者 | Rouleau-Turcotte, E, Pascal, J.M. | | 登録日 | 2023-01-27 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
|
|
8FYY
 | |
8G0H
 | |
8FZ1
 | | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14) | | 分子名称: | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | | 著者 | Rouleau-Turcotte, E, Pascal, J.M. | | 登録日 | 2023-01-27 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
|
|
4DQY
 | |
5DS3
 | | Crystal structure of constitutively active PARP-1 | | 分子名称: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ... | | 著者 | Langelier, M.F, Pascal, J.M. | | 登録日 | 2015-09-16 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain.
Mol.Cell, 60, 2015
|
|
5DSY
 | | Crystal structure of constitutively active PARP-2 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 2 | | 著者 | Riccio, A.A, Pascal, J.M. | | 登録日 | 2015-09-17 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain.
Mol.Cell, 60, 2015
|
|
4G28
 | | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and EBIO-1 | | 分子名称: | 1-ethyl-1,3-dihydro-2H-benzimidazol-2-one, CALCIUM ION, Calmodulin, ... | | 著者 | Zhang, M, Pascal, J.M, Zhang, J.-F. | | 登録日 | 2012-07-11 | | 公開日 | 2012-09-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
|
|
4G27
 | | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and phenylurea | | 分子名称: | 1-phenylurea, CALCIUM ION, Calmodulin, ... | | 著者 | Zhang, M, Pascal, J.M, Zhang, J.-F. | | 登録日 | 2012-07-11 | | 公開日 | 2012-09-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
|
|
4J9Y
 | | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant | | 分子名称: | CALCIUM ION, Calmodulin, GLYCEROL, ... | | 著者 | Zhang, M, Pascal, J.M, Zhang, J.-F. | | 登録日 | 2013-02-17 | | 公開日 | 2013-03-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Unstructured to structured transition of an intrinsically disordered protein peptide in coupling Ca2+-sensing and SK channel activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4J9Z
 | | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and NS309 | | 分子名称: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin, ... | | 著者 | Zhang, M, Pascal, J.M, Zhang, J.-F. | | 登録日 | 2013-02-17 | | 公開日 | 2013-03-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Unstructured to structured transition of an intrinsically disordered protein peptide in coupling Ca2+-sensing and SK channel activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
8SWY
 | | PARP4 ART domain bound to NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
|
|
8SX2
 | | PARP4 catalytic domain bound to EB47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
|
|
8SX1
 | | PARP4 catalytic domain | | 分子名称: | Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
|
|
8SWZ
 | | PARP4 ART domain bound to EB47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
|
|
3SJQ
 | | Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin | | 分子名称: | 1-phenylurea, CALCIUM ION, Calmodulin, ... | | 著者 | Zhang, M, Pascal, J.M, Zhang, J.-F. | | 登録日 | 2011-06-21 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for calmodulin as a dynamic calcium sensor.
Structure, 20, 2012
|
|
5D5K
 | |
4QNH
 | | Calcium-calmodulin (T79D) complexed with the calmodulin binding domain from a small conductance potassium channel SK2-a | | 分子名称: | CALCIUM ION, Calmodulin, SULFATE ION, ... | | 著者 | Zhang, M, Pascal, J.M, Logothetis, D.E, Zhang, J.F. | | 登録日 | 2014-06-17 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Selective phosphorylation modulates the PIP2 sensitivity of the CaM-SK channel complex.
Nat.Chem.Biol., 10, 2014
|
|
6NRJ
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 | | 分子名称: | (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | 著者 | Langelier, M.F, Pascal, J.M. | | 登録日 | 2019-01-23 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
|
|
6NTU
 | |
6NRG
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | | 分子名称: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | 著者 | Langelier, M.F, Pascal, J.M. | | 登録日 | 2019-01-23 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
|
|
6NRI
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | | 分子名称: | (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Langelier, M.F, Pascal, J.M. | | 登録日 | 2019-01-23 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
|
|
6NRF
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | | 分子名称: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Langelier, M.F, Pascal, J.M. | | 登録日 | 2019-01-23 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
|
|
