7PWR
 
 | | PARP15 catalytic domain in complex with OUL254 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWA
 | | PARP15 catalytic domain in complex with OUL237 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(cyclopentylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-06 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWU
 | | PARP15 catalytic domain in complex with OUL256 | | 分子名称: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PW3
 | | PARP15 catalytic domain in complex with OUL217 | | 分子名称: | 4-(cyclohexylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | | 登録日 | 2021-10-06 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWP
 | | PARP15 catalytic domain in complex with OUL221 | | 分子名称: | 4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Murthy, S, Nizi, M.G, Lehtio, L. | | 登録日 | 2021-10-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWM
 | | PARP15 catalytic domain in complex with OUL252 | | 分子名称: | 4-(cyclohexylmethoxy)-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PX7
 | | PARP15 catalytic domain in complex with OUL242 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-08 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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8A4M
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061) | | 分子名称: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | 著者 | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S. | | 登録日 | 2022-06-13 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
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8A76
 | | Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26 | | 分子名称: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Vascon, F, Legru, A, Hernandez, J.F, Cendron, L. | | 登録日 | 2022-06-20 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
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4NXO
 | | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Liang, W.G, Deprez, R, Deprez, B, Tang, W. | | 登録日 | 2013-12-09 | | 公開日 | 2015-10-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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4IFH
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619 | | 分子名称: | Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION | | 著者 | Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W. | | 登録日 | 2012-12-14 | | 公開日 | 2013-12-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.286 Å) | | 主引用文献 | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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6BF8
 | | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | | 分子名称: | Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-10-26 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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6B7Y
 | | Cryo-EM structure of human insulin degrading enzyme | | 分子名称: | Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-10-05 | | 公開日 | 2017-11-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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6B3Q
 | | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | | 分子名称: | Insulin, Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-09-22 | | 公開日 | 2017-11-22 | | 最終更新日 | 2021-04-28 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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6BF6
 | | Cryo-EM structure of human insulin degrading enzyme | | 分子名称: | Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-10-26 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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6BFC
 | | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | | 分子名称: | Insulin, Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-10-26 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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6B7Z
 | | Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11 heavy chain and FAB H11 light chain | | 分子名称: | FAB H11 heavy chain, FAB H11 light chain, Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-10-05 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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6BF9
 | | Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain | | 分子名称: | Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-10-26 | | 公開日 | 2018-02-07 | | 最終更新日 | 2021-04-28 | | 実験手法 | ELECTRON MICROSCOPY (7.2 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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6BF7
 | | Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain | | 分子名称: | Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme | | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | 登録日 | 2017-10-26 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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3QPL
 | | G106W mutant of EthR from Mycobacterium tuberculosis | | 分子名称: | HTH-type transcriptional regulator EthR | | 著者 | Carette, X, Willery, E, Hoos, S, Lecat-Guillet, N, Frenois, F, Dirie, B, Villeret, V, England, P, Deprez, B, Locht, C, Willand, N, Baulard, A. | | 登録日 | 2011-02-14 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2012
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6M7H
 | | Structure of calmodulin with KN93 | | 分子名称: | CALCIUM ION, Calmodulin-1, N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide | | 著者 | Damo, S.M, Pattanayek, R, Johnson, C.N. | | 登録日 | 2018-08-20 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The CaMKII inhibitor KN93-calmodulin interaction and implications for calmodulin tuning of NaV1.5 and RyR2 function.
Cell Calcium, 82, 2019
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5WOB
 | | Crystal Structure Analysis of Fab1-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Insulin | | 分子名称: | IDE-bound Fab heavy chain, IDE-bound Fab light chain, Insulin, ... | | 著者 | McCord, L.A, Liang, W.G, Farcasanu, M, Wang, A.G, Koide, S, Tang, W.J. | | 登録日 | 2017-08-01 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.95 Å) | | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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7R59
 | | PARP2 catalytic domain in complex with OUL245 | | 分子名称: | GLYCEROL, Poly [ADP-ribose] polymerase 2, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | | 著者 | Galera-Prat, A, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-10 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R3Z
 | | Tankyrase 2 catalytic domain in complex with OUL40 | | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | 著者 | Murthy, S, Venkannagari, H, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-08 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R5D
 | | PARP15 catalytic domain in complex with OUL234 | | 分子名称: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-10 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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