4TUO
 
 | | 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, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Golik, P, Grudnik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G. | | Deposit date: | 2014-06-24 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
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4U2W
 | | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin | | Descriptor: | 1,2-ETHANEDIOL, Bowman-Birk trypsin inhibitor, CALCIUM ION, ... | | Authors: | Grudnik, P, Golik, P, Malicki, S, Debowski, D, Legowska, A, Rolka, K, Dubin, G. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Proteins, 83, 2015
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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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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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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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5HFS
 | | CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM | | Descriptor: | CALCIUM ION, Gingipain R2, ZINC ION | | Authors: | Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J. | | Deposit date: | 2016-01-07 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
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5J7F
 | | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | | Descriptor: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
J. Med. Chem., 60, 2017
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5J7G
 | | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | | Descriptor: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
J. Med. Chem., 60, 2017
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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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4ZFI
 | | Structure of Mdm2 with low molecular weight inhibitor | | Descriptor: | (5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2015-04-21 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
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4ZGK
 | | Structure of Mdm2 with low molecular weight inhibitor. | | Descriptor: | (5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2015-04-23 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
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5AG9
 | | CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB | | Descriptor: | Gingipain R2, SULFATE ION | | Authors: | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | | Deposit date: | 2015-01-29 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
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4ZQK
 | | Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1. | | Descriptor: | Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION | | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | | Deposit date: | 2015-05-10 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 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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5AG8
 | | CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB | | Descriptor: | GINGIPAIN R2, GLYCEROL, SULFATE ION | | Authors: | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | | Deposit date: | 2015-01-29 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
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6R3K
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | (2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | | Deposit date: | 2019-03-20 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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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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5N86
 | | Crystal structure of FAS1 domain of hyaluronic acid receptor stabilin-2 | | Descriptor: | Stabilin-2 | | Authors: | Twarda-Clapa, A, Labuzek, B, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2017-02-23 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.484 Å) | | Cite: | Crystal structure of the FAS1 domain of the hyaluronic acid receptor stabilin-2.
Acta Crystallogr D Struct Biol, 74, 2018
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5NIU
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells.
Oncotarget, 8, 2017
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5NM7
 | | Crystal structure of Burkholderia AP3 phage endolysin | | Descriptor: | GLYCINE, Peptidoglycan-binding domain 1, TRIETHYLENE GLYCOL | | Authors: | Zrubek, K, Wisniewska, M, Rembacz, K, Maciejewska, B, Drulis-Kawa, Z, Dubin, G. | | Deposit date: | 2017-04-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Modular endolysin of Burkholderia AP3 phage has the largest lysozyme-like catalytic subunit discovered to date and no catalytic aspartate residue.
Sci Rep, 7, 2017
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5NIF
 | | Yeast 20S proteasome in complex with Blm-pep activator | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Witkowska, J, Grudnik, P, Golik, P, Dubin, G, Jankowska, E. | | Deposit date: | 2017-03-23 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a low molecular weight activator Blm-pep with yeast 20S proteasome - insights into the enzyme activation mechanism.
Sci Rep, 7, 2017
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5O0I
 | | ADP-dependent glucokinase from Pyrococcus horikoshii | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADP-dependent glucokinase, ... | | Authors: | Grudnik, P, Dubin, G. | | Deposit date: | 2017-05-16 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide.
J. Biol. Chem., 293, 2018
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5N2D
 | | Structure of PD-L1/small-molecule inhibitor complex | | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | | 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 (2.35 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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5O11
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