5L87
| Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | 分子名称: | 1,2-ETHANEDIOL, 5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, Peroxin 14 | 著者 | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | 登録日 | 2016-06-07 | 公開日 | 2017-03-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (0.87 Å) | 主引用文献 | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Science, 355, 2017
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5L8A
| Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | 分子名称: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, GLYCINE, ... | 著者 | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | 登録日 | 2016-06-07 | 公開日 | 2017-03-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Science, 355, 2017
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5N8V
| Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | 分子名称: | 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | 登録日 | 2017-02-24 | 公開日 | 2017-03-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Science, 355, 2017
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6SPT
| High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity | 分子名称: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Napolitano, V, Dawidowski, M, Kalel, V.C, Fino, R, Emmanouilidis, L, Lenhart, D, Ostertag, M, Kaiser, M, Kolonko, M, Schilebs, W, Maser, P, Tetko, I, Hadian, K, Plettenburg, O, Erdmann, R, Sattler, M, Popowicz, G.M, Dubin, G. | 登録日 | 2019-09-02 | 公開日 | 2020-01-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity. J.Med.Chem., 63, 2020
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7QRC
| X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | 分子名称: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | 著者 | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | 登録日 | 2022-01-10 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma. Eur.J.Med.Chem., 243, 2022
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5BPK
| Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases | 分子名称: | (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid, 1,2-ETHANEDIOL, Gamma-glutamyltranspeptidase (Ggt) | 著者 | Bolz, C, Bach, N.C, Meyer, H, Mueller, G, Dawidowski, M, Popowicz, G, Sieber, S.A, Skerra, A, Gerhard, M. | 登録日 | 2015-05-28 | 公開日 | 2016-05-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases To Be Published
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6RT2
| Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope | 分子名称: | (3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | 著者 | Napolitano, V, Ratkova, E.L, Dawidowski, M, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | 登録日 | 2019-05-22 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Water envelope has a critical impact on the design of protein-protein interaction inhibitors. Chem.Commun.(Camb.), 56, 2020
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5OML
| Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope | 分子名称: | (3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | 著者 | Ratkova, E.L, Dawidowski, M, Napolitano, V, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | 登録日 | 2017-08-01 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope To Be Published
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5MMC
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5O0I
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5O0J
| ADP-dependent glucokinase from Pyrococcus horikoshii | 分子名称: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, ADP-dependent glucokinase, alpha-D-glucopyranose | 著者 | Grudnik, P, Dubin, G. | 登録日 | 2017-05-16 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide. J. Biol. Chem., 293, 2018
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