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PDB: 81 results

5HFS
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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
5J7F
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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
5J7G
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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
4TRP
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BU of 4trp by Molmil
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
4TUL
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BU of 4tul by Molmil
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
4U2W
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BU of 4u2w by Molmil
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
4TUJ
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BU of 4tuj by Molmil
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
4TUK
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BU of 4tuk by Molmil
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
4TUO
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BU of 4tuo by Molmil
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
4ZFI
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BU of 4zfi by Molmil
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
4ZGK
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BU of 4zgk by Molmil
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
4ZQK
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BU of 4zqk by Molmil
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
5AG9
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BU of 5ag9 by Molmil
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
5AG8
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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
8P61
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BU of 8p61 by Molmil
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
5OML
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BU of 5oml by Molmil
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
5NIF
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BU of 5nif by Molmil
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
5NM7
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BU of 5nm7 by Molmil
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
5O0I
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BU of 5o0i by Molmil
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
5O11
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Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Bogusz, J, Dubin, G.
Deposit date:2017-05-17
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017
5O4Y
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BU of 5o4y by Molmil
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
5OAI
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BU of 5oai by Molmil
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
5O45
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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
5N2D
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BU of 5n2d by Molmil
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
5O0J
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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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