8GH2
| Structure of Trypanosoma (MDH)4-(Pex5)2, close conformation | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-09 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structure of Trypanosoma (MDH)4-(Pex5)2, close conformation To Be Published
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8GI0
| Structure of Trypanosoma docking complex | Descriptor: | Peroxisomal membrane protein PEX14, Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-13 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of Trypanosoma docking complex To Be Published
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8GGH
| Structure of Trypanosoma (MDH)4-PEX5, distal conformation | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-08 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structure of Trypanosoma (MDH)4-PEX5, distal conformation To Be Published
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8GGD
| Structure of Trypanosoma (MDH)4-Pex5, close conformation | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-08 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structure of Trypanosoma (MDH)4-Pex5, close conformation To Be Published
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7Z35
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5C3T
| PD-1 binding domain from human PD-L1 | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | Deposit date: | 2015-06-17 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1. Structure, 23, 2015
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5EPW
| C-Terminal Domain Of Human Coronavirus Nl63 Nucleocapsid Protein | Descriptor: | Nucleoprotein | Authors: | Szelazek, B, Kabala, W, Kus, K, Zdzalik, M, Golik, P, Florek, D, Burmistrz, M, Pyrc, K, Dubin, G. | Deposit date: | 2015-11-12 | Release date: | 2017-02-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Characterization of Human Coronavirus NL63 N Protein. J. Virol., 91, 2017
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4GR6
| Crystal structure of AtRbcX2 from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, AtRbcX2 | Authors: | Grudnik, P, Golik, P, Kolesinski, P, Dubin, G, Szczepaniak, A. | Deposit date: | 2012-08-24 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into eukaryotic Rubisco assembly - Crystal structures of RbcX chaperones from Arabidopsis thaliana. Biochim.Biophys.Acta, 1830, 2013
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4GR2
| Structure of AtRbcX1 from Arabidopsis thaliana. | Descriptor: | AtRbcX1 | Authors: | Golik, P, Grudnik, P, Kolesinski, P, Dubin, G, Szczepaniak, A. | Deposit date: | 2012-08-24 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into eukaryotic Rubisco assembly - Crystal structures of RbcX chaperones from Arabidopsis thaliana. Biochim.Biophys.Acta, 1830, 2013
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6SF7
| Atomic resolution structure of SplF protease from Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Golik, P, Stach, N, Karim, A, Dubin, G. | Deposit date: | 2019-08-01 | Release date: | 2021-03-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Determinants of Substrate Specificity of SplF Protease from Staphylococcus aureus . Int J Mol Sci, 22, 2021
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7NRZ
| Crystal structure of malate dehydrogenase from Trypanosoma cruzi | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sonani, R.R, Kurpiewska, K, Lewinski, K, Dubin, G. | Deposit date: | 2021-03-04 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Distinct sequence and structural feature of trypanosoma malate dehydrogenase. Biochem.Biophys.Res.Commun., 557, 2021
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7OUN
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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 | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2019-09-02 | Release date: | 2020-01-01 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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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7Q86
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7Q84
| Crystal structure of human peroxisomal acyl-Co-A oxidase 1a, apo-form | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Sonani, R.R, Blat, A, Dubin, G. | Deposit date: | 2021-11-10 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of apo- and FAD-bound human peroxisomal acyl-CoA oxidase provide mechanistic basis explaining clinical observations. Int.J.Biol.Macromol., 205, 2022
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7QRC
| X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | Descriptor: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | Authors: | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | Deposit date: | 2022-01-10 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | 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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7QOZ
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7Z1G
| Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | Deposit date: | 2022-02-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945 To Be Published
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7Z1F
| Crystal structure of GSK3b in complex with CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | Deposit date: | 2022-02-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of phosphorylated (Tyr216) GSK3b kinase in complex with CX-4945 To Be Published
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7Z5N
| Crystal structure of DYRK1A in complex with CX-4945 | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pustelny, K, Grygier, P, Golik, P, Dubin, G, Czarna, A. | Deposit date: | 2022-03-09 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Crystal structure DYRK1A in complex with CX-4945 To Be Published
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8C3G
| Crystal structure of DYRK1A in complex with AZ191 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine, ... | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | Deposit date: | 2022-12-23 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural perspective on the design of selective DYRK1B inhibitors To Be Published
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8C3Q
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8C3R
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8C2Z
| Crystal structure of DYRK1B in complex with AZ191 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1B, MANGANESE (II) ION, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | Deposit date: | 2022-12-23 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural perspective on the design of selective DYRK1B inhibitors To Be Published
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7R2V
| Structure of nsp14 from SARS-CoV-2 in complex with SAH | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ... | Authors: | Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K. | Deposit date: | 2022-02-06 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity. Structure, 30, 2022
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