7S6M
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7s6m by Molmil](/molmil-images/mine/7s6m) | |
7S81
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7s81 by Molmil](/molmil-images/mine/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
|
|
8FYZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fyz by Molmil](/molmil-images/mine/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
|
|
8FYY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fyy by Molmil](/molmil-images/mine/8fyy) | |
8G0H
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8g0h by Molmil](/molmil-images/mine/8g0h) | |
8FZ1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fz1 by Molmil](/molmil-images/mine/8fz1) | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14) | Descriptor: | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | 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 (2.7 Å) | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem.J., 481, 2024
|
|
4DQY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4dqy by Molmil](/molmil-images/mine/4dqy) | |
5DS3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5ds3 by Molmil](/molmil-images/mine/5ds3) | Crystal structure of constitutively active PARP-1 | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2015-09-16 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain. Mol.Cell, 60, 2015
|
|
5DSY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dsy by Molmil](/molmil-images/mine/5dsy) | Crystal structure of constitutively active PARP-2 | Descriptor: | 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 | Authors: | Riccio, A.A, Pascal, J.M. | Deposit date: | 2015-09-17 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain. Mol.Cell, 60, 2015
|
|
4G28
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4g28 by Molmil](/molmil-images/mine/4g28) | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and EBIO-1 | Descriptor: | 1-ethyl-1,3-dihydro-2H-benzimidazol-2-one, CALCIUM ION, Calmodulin, ... | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | Deposit date: | 2012-07-11 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels. Nat Commun, 3, 2012
|
|
4G27
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4g27 by Molmil](/molmil-images/mine/4g27) | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and phenylurea | Descriptor: | 1-phenylurea, CALCIUM ION, Calmodulin, ... | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | Deposit date: | 2012-07-11 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels. Nat Commun, 3, 2012
|
|
4J9Y
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4j9y by Molmil](/molmil-images/mine/4j9y) | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant | Descriptor: | CALCIUM ION, Calmodulin, GLYCEROL, ... | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | Deposit date: | 2013-02-17 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4j9z by Molmil](/molmil-images/mine/4j9z) | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and NS309 | Descriptor: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin, ... | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | Deposit date: | 2013-02-17 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8swy by Molmil](/molmil-images/mine/8swy) | PARP4 ART domain bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
|
|
8SX2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8sx2 by Molmil](/molmil-images/mine/8sx2) | PARP4 catalytic domain bound to EB47 | Descriptor: | 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 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
|
|
8SX1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8sx1 by Molmil](/molmil-images/mine/8sx1) | PARP4 catalytic domain | Descriptor: | Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
|
|
8SWZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8swz by Molmil](/molmil-images/mine/8swz) | PARP4 ART domain bound to EB47 | Descriptor: | 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 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
|
|
3SJQ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3sjq by Molmil](/molmil-images/mine/3sjq) | Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin | Descriptor: | 1-phenylurea, CALCIUM ION, Calmodulin, ... | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | Deposit date: | 2011-06-21 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for calmodulin as a dynamic calcium sensor. Structure, 20, 2012
|
|
5D5K
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5d5k by Molmil](/molmil-images/mine/5d5k) | |
4QNH
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4qnh by Molmil](/molmil-images/mine/4qnh) | Calcium-calmodulin (T79D) complexed with the calmodulin binding domain from a small conductance potassium channel SK2-a | Descriptor: | CALCIUM ION, Calmodulin, SULFATE ION, ... | Authors: | Zhang, M, Pascal, J.M, Logothetis, D.E, Zhang, J.F. | Deposit date: | 2014-06-17 | Release date: | 2014-08-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Selective phosphorylation modulates the PIP2 sensitivity of the CaM-SK channel complex. Nat.Chem.Biol., 10, 2014
|
|
6NRJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6nrj by Molmil](/molmil-images/mine/6nrj) | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 | Descriptor: | (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, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ntu by Molmil](/molmil-images/mine/6ntu) | |
6NRG
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6nrg by Molmil](/molmil-images/mine/6nrg) | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6nri by Molmil](/molmil-images/mine/6nri) | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | Descriptor: | (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, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6nrf by Molmil](/molmil-images/mine/6nrf) | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | Descriptor: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
|
|