4INK
| Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution | Descriptor: | Serine protease SplD | Authors: | Zdzalik, M, Kalinska, M, Cichon, P, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
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4INL
| Crystal structure of SplD protease from Staphylococcus aureus at 2.1 A resolution | Descriptor: | Serine protease SplD | Authors: | Cichon, P, Zdzalik, M, Kalinska, M, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
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4TRP
| Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | Descriptor: | Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen | Authors: | Horwacik, I, Golik, P, Grudnik, P, Zdzalik, M, Rokita, H, Dubin, G. | Deposit date: | 2014-06-17 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
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4TUL
| Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | Descriptor: | ACETATE ION, Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, ... | Authors: | Golik, P, Grudnik, P, Dubin, G, Zdzalik, M, Rokita, H, Horwacik, I. | Deposit date: | 2014-06-24 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
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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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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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8P61
| Crystal structure of O'nyong'nyong virus capsid protease (106-256) | Descriptor: | Capsid protein, GLYCEROL, SULFATE ION | Authors: | Plewka, J, Chykunova, Y, Wilk, P, Sienczyk, M, Dubin, G, Pyrc, K. | Deposit date: | 2023-05-24 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Autoinhibition of suicidal capsid protease from O'nyong'nyong virus. Int.J.Biol.Macromol., 262, 2024
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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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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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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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8GH3
| Structure of Trypanosoma (MDH)4-(Pex5)2, 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: | 2023-03-09 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Structure of Trypanosoma (MDH)4-(Pex5)2, distal 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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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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8OIG
| Crystal Structure of Staphopain C from Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | McEwen, A.G, Magoch, M, Napolitano, V, Dubin, G, Wladyka, B. | Deposit date: | 2023-03-22 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of Staphopain C from Staphylococcus aureus. Molecules, 28, 2023
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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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8C3R
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8C3Q
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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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5MM8
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5N4K
| N-terminal domain of a human Coronavirus NL63 nucleocapsid protein | Descriptor: | Nucleoprotein, SULFATE ION | Authors: | Zdzalik, M, Szelazek, B, Kabala, W, Golik, P, Burmistrz, M, Florek, D, Kus, K, Pyrc, K, Dubin, G. | Deposit date: | 2017-02-10 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural Characterization of Human Coronavirus NL63 N Protein. J. Virol., 91, 2017
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5N2F
| Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
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