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PDB: 59 件
8FZ1
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BU of 8fz1 by Molmil
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
8G0H
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BU of 8g0h by Molmil
Human PARP1 deltaV687-E688 bound to UKTT5 (compound 10) and to a DNA double strand break.
分子名称: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-31
公開日2024-02-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
5DS3
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BU of 5ds3 by Molmil
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
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BU of 5dsy by Molmil
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
1OBS
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BU of 1obs by Molmil
STRUCTURE OF RICIN A CHAIN MUTANT
分子名称: RICIN A CHAIN
著者Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
登録日1996-06-25
公開日1997-06-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and activity of an active site substitution of ricin A chain.
Biochemistry, 35, 1996
1OBT
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BU of 1obt by Molmil
STRUCTURE OF RICIN A CHAIN MUTANT, COMPLEX WITH AMP
分子名称: ADENOSINE MONOPHOSPHATE, RICIN A CHAIN
著者Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
登録日1996-06-22
公開日1997-06-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and activity of an active site substitution of ricin A chain.
Biochemistry, 35, 1996
4J9Y
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BU of 4j9y by Molmil
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
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BU of 4j9z by Molmil
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
7S6H
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BU of 7s6h by Molmil
Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break.
分子名称: 1,2-ETHANEDIOL, 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, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-14
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
8SX1
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BU of 8sx1 by Molmil
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
8SWY
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BU of 8swy by Molmil
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
8SWZ
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BU of 8swz by Molmil
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
8SX2
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BU of 8sx2 by Molmil
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
7SZ3
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BU of 7sz3 by Molmil
Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ADPr
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, PHOSPHATE ION, ...
著者Ayanath Kuttiyatveetil, J.R, Pascal, J.M.
登録日2021-11-25
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
7SZ2
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BU of 7sz2 by Molmil
Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
著者Ayanath Kuttiyatveetil, J.R, Pascal, J.M.
登録日2021-11-25
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
5D5K
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BU of 5d5k by Molmil
Crystal Structure NLS from human PARP-2 complexed with Importin alpha delta IBB
分子名称: Importin subunit alpha-1, Poly [ADP-ribose] polymerase 2
著者Riccio, A.A, Cingolani, G, Pascal, J.M.
登録日2015-08-10
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PARP-2 domain requirements for DNA damage-dependent activation and localization to sites of DNA damage.
Nucleic Acids Res., 44, 2016
4G28
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BU of 4g28 by Molmil
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
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BU of 4g27 by Molmil
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
4QNH
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BU of 4qnh by Molmil
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
6VKO
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BU of 6vko by Molmil
Crystal Structure of human PARP-1 CAT domain bound to inhibitor UKTT15
分子名称: Poly [ADP-ribose] polymerase 1, SULFATE ION, methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
著者Langelier, M.F, Pascal, J.M.
登録日2020-01-21
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
6NRH
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BU of 6nrh by Molmil
Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63
分子名称: 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-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 (1.5 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
6NRJ
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BU of 6nrj by Molmil
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
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BU of 6ntu by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UKTT-15
分子名称: DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ...
著者Langelier, M.F, Pascal, J.M.
登録日2019-01-30
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
6NRG
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BU of 6nrg by Molmil
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
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BU of 6nri by Molmil
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

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件を2024-06-19に公開中

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