5HFS
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![BU of 5hfs by Molmil](/molmil-images/mine/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
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![BU of 5j7f by Molmil](/molmil-images/mine/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
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![BU of 5j7g by Molmil](/molmil-images/mine/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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4TRP
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![BU of 4trp by Molmil](/molmil-images/mine/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
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![BU of 4tul by Molmil](/molmil-images/mine/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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4U2W
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![BU of 4u2w by Molmil](/molmil-images/mine/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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4TUJ
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![BU of 4tuj by Molmil](/molmil-images/mine/4tuj) | 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, peptide1 | Authors: | Grudnik, P, Golik, 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 (1.89 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
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4TUK
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![BU of 4tuk by Molmil](/molmil-images/mine/4tuk) | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | Descriptor: | CHLORIDE 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, Horwacik, I, Zdzalik, M, Rokita, H. | Deposit date: | 2014-06-24 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
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4TUO
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![BU of 4tuo by Molmil](/molmil-images/mine/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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4ZFI
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![BU of 4zfi by Molmil](/molmil-images/mine/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
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![BU of 4zgk by Molmil](/molmil-images/mine/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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4ZQK
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![BU of 4zqk by Molmil](/molmil-images/mine/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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5AG9
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![BU of 5ag9 by Molmil](/molmil-images/mine/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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5AG8
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![BU of 5ag8 by Molmil](/molmil-images/mine/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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8P61
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![BU of 8p61 by Molmil](/molmil-images/mine/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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5OML
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![BU of 5oml by Molmil](/molmil-images/mine/5oml) | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope | Descriptor: | (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, ... | Authors: | Ratkova, E.L, Dawidowski, M, Napolitano, V, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | Deposit date: | 2017-08-01 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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5NIF
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![BU of 5nif by Molmil](/molmil-images/mine/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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5NM7
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![BU of 5nm7 by Molmil](/molmil-images/mine/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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5O0I
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![BU of 5o0i by Molmil](/molmil-images/mine/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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5O11
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![BU of 5o11 by Molmil](/molmil-images/mine/5o11) | |
5O4Y
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![BU of 5o4y by Molmil](/molmil-images/mine/5o4y) | Structure of human PD-L1 in complex with inhibitor | Descriptor: | PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | Authors: | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-05-31 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OAI
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![BU of 5oai by Molmil](/molmil-images/mine/5oai) | Structure of MDM2 with low molecular weight inhibitor | Descriptor: | 3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 | Authors: | Twarda-Clapa, A, Neochoritis, C.G, Grudnik, P, Dubin, G, Domling, A, Holak, T.A. | Deposit date: | 2017-06-22 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A fluorinated indole-based MDM2 antagonist selectively inhibits the growth of p53wtosteosarcoma cells. Febs J., 286, 2019
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5O45
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![BU of 5o45 by Molmil](/molmil-images/mine/5o45) | Structure of human PD-L1 in complex with inhibitor | Descriptor: | PHE-MEA-9KK-SAR-ASP-VAL-MEA-TYR-SAR-TRP-TYR-LEU-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | Authors: | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-05-26 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint. Angew. Chem. Int. Ed. Engl., 56, 2017
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5N2D
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![BU of 5n2d by Molmil](/molmil-images/mine/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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5O0J
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![BU of 5o0j by Molmil](/molmil-images/mine/5o0j) | ADP-dependent glucokinase from Pyrococcus horikoshii | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, ADP-dependent glucokinase, alpha-D-glucopyranose | Authors: | Grudnik, P, Dubin, G. | Deposit date: | 2017-05-16 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide. J. Biol. Chem., 293, 2018
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