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: | 2024-10-16 | 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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6ZQ8
| Crystal structure of Chaetomium thermophilum Glycerol Kinase in P3221 space group | Descriptor: | Glycerol kinase-like protein | Authors: | Wilk, P, Wator, E, Malecki, P, Tokarz, P, Grudnik, P. | Deposit date: | 2020-07-09 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum . Int J Mol Sci, 21, 2020
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6ZQ5
| Crystal structure of Chaetomium thermophilum Glycerol Kinase in P2221 space group | Descriptor: | 1,2-ETHANEDIOL, Glycerol kinase-like protein | Authors: | Wilk, P, Wator, E, Malecki, P, Grudnik, P. | Deposit date: | 2020-07-09 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum . Int J Mol Sci, 21, 2020
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6ZQ6
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6ZQ4
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6YCR
| Structure of human PD-L1 in complex with inhibitor | Descriptor: | FFIVIRDRVFR(CCS)G(NH2), Programmed cell death 1 ligand 1 | Authors: | Magiera-Mularz, K, Grudnik, P, Kuska, K, Holak, T.A, Dubin, G. | Deposit date: | 2020-03-18 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Macrocyclic Peptide Inhibitor of PD-1/PD-L1 Immune Checkpoint Adv. Ther., 2020
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6ZQ7
| Crystal structure of Chaetomium thermophilum Glycerol Kinase in I222 space group | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Glycerol kinase-like protein | Authors: | Wilk, P, Wator, E, Grudnik, P. | Deposit date: | 2020-07-09 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.421 Å) | Cite: | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum . Int J Mol Sci, 21, 2020
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7A6T
| Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase in complex with NAD and spermidine | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Deoxyhypusine synthase, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-08-26 | Release date: | 2022-03-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders. Nat Commun, 14, 2023
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7A6S
| Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Deoxyhypusine synthase, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-08-26 | Release date: | 2022-03-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders. Nat Commun, 14, 2023
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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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5OD2
| Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Bifunctional ADP-specific glucokinase/phosphofructokinase, MAGNESIUM ION, ... | Authors: | Wisniewska, M, Tokarz, P, Grudnik, P. | Deposit date: | 2017-07-04 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism. Protein Sci., 27, 2018
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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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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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4X6Z
| Yeast 20S proteasome in complex with PR-VI modulator | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rostankowski, R, Witkowska, J, Borek, D, Otwinowski, Z, Jankowska, E. | Deposit date: | 2014-12-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures revealed the common place of binding of low-molecular
mass activators with the 20S proteasome To Be Published
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7OD0
| Mirolysin in complex with compound 9 | Descriptor: | 1,2-ETHANEDIOL, 2,1,3-benzothiadiazol-4-ylmethanamine, ACETATE ION, ... | Authors: | Zak, K.M, Bostock, M.J, Ksiazek, M. | Deposit date: | 2021-04-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia . J Enzyme Inhib Med Chem, 36, 2021
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3SYN
| Crystal structure of FlhF in complex with its activator | Descriptor: | ALUMINUM FLUORIDE, ATP-binding protein YlxH, Flagellar biosynthesis protein flhF, ... | Authors: | Bange, G, Kuemmerer, N, Wild, K, Sinning, I. | Deposit date: | 2011-07-18 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.063 Å) | Cite: | Structural basis for the molecular evolution of SRP-GTPase activation by protein. Nat.Struct.Mol.Biol., 18, 2011
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7NLD
| Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1 | Authors: | Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A. | Deposit date: | 2021-02-22 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 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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5O12
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5O11
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5O13
| Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | Descriptor: | (3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Dubin, G, Bogusz, J. | Deposit date: | 2017-05-17 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. Sci Rep, 7, 2017
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7AD0
| X-ray structure of Mdm2 with modified p53 peptide | Descriptor: | E3 ubiquitin-protein ligase Mdm2, Modified p53 peptide | Authors: | Twarda-Clapa, A, Fortuna, P, Grudnik, P, Dubin, G, Berlicki, L, Holak, T.A. | Deposit date: | 2020-09-13 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Systematic ""foldamerization"" of peptide inhibiting p53-MDM2/X interactions by the incorporation of trans- or cis-2-aminocyclopentanecarboxylic acid residues Eur.J.Med.Chem., 208, 2020
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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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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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