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
 | | 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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5MM8
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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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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
 | | 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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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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