6XXH
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![BU of 6xxh by Molmil](/molmil-images/mine/6xxh) | Crystal Structure of Human Deoxyhypusine Synthase in apo form | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-01-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
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6XXL
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![BU of 6xxl by Molmil](/molmil-images/mine/6xxl) | Crystal Structure of Human Deoxyhypusine Synthase in complex with spermine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-01-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
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6XXM
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![BU of 6xxm by Molmil](/molmil-images/mine/6xxm) | Crystal Structure of Human Deoxyhypusine Synthase in complex with putrescine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIAMINOBUTANE, Deoxyhypusine synthase | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-01-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
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6XXI
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![BU of 6xxi by Molmil](/molmil-images/mine/6xxi) | Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-01-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
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6XXK
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![BU of 6xxk by Molmil](/molmil-images/mine/6xxk) | Crystal Structure of Human Deoxyhypusine Synthase in complex with spermidine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-01-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
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5OD2
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![BU of 5od2 by Molmil](/molmil-images/mine/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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6YCR
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![BU of 6ycr by Molmil](/molmil-images/mine/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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5N2F
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![BU of 5n2f by Molmil](/molmil-images/mine/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
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![BU of 5n86 by Molmil](/molmil-images/mine/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
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![BU of 5niu by Molmil](/molmil-images/mine/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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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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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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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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6R3K
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![BU of 6r3k by Molmil](/molmil-images/mine/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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7AD0
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![BU of 7ad0 by Molmil](/molmil-images/mine/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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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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