1CTI
 
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2CTI
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5O4Y
 | | Structure of human PD-L1 in complex with inhibitor | | 分子名称: | PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | | 著者 | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | | 登録日 | 2017-05-31 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | Twarda-Clapa, A, Neochoritis, C.G, Grudnik, P, Dubin, G, Domling, A, Holak, T.A. | | 登録日 | 2017-06-22 | | 公開日 | 2019-02-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A fluorinated indole-based MDM2 antagonist selectively inhibits the growth of p53wtosteosarcoma cells.
Febs J., 286, 2019
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5O45
 | | Structure of human PD-L1 in complex with inhibitor | | 分子名称: | PHE-MEA-9KK-SAR-ASP-VAL-MEA-TYR-SAR-TRP-TYR-LEU-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | | 著者 | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | | 登録日 | 2017-05-26 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4PYU
 | | The conserved ubiquitin-like protein hub1 plays a critical role in splicing in human cells | | 分子名称: | U4/U6.U5 tri-snRNP-associated protein 1, Ubiquitin-like protein 5 | | 著者 | Ammon, T, Mishra, S.K, Kowalska, K, Popowicz, G.M, Holak, T.A, Jentsch, S. | | 登録日 | 2014-03-28 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The conserved ubiquitin-like protein Hub1 plays a critical role in splicing in human cells.
J Mol Cell Biol, 6, 2014
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3CTI
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1AG4
 | | NMR STRUCTURE OF SPHERULIN 3A (S3A) FROM PHYSARUM POLYCEPHALUM, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | SPHERULIN 3A | | 著者 | Rosinke, B, Renner, C, Mayr, E.-M, Jaenicke, R, Holak, T.A. | | 登録日 | 1997-04-01 | | 公開日 | 1998-04-08 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Ca2+-loaded spherulin 3a from Physarum polycephalum adopts the prototype gamma-crystallin fold in aqueous solution.
J.Mol.Biol., 271, 1997
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1A23
 | | SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | DSBA | | 著者 | Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R. | | 登録日 | 1998-01-15 | | 公開日 | 1998-09-16 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998
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1A24
 | | SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, FAMILY OF 20 STRUCTURES | | 分子名称: | DSBA | | 著者 | Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R. | | 登録日 | 1998-01-15 | | 公開日 | 1998-09-16 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998
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5C3T
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8P1O
 | | Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives | | 分子名称: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | | 著者 | Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A. | | 登録日 | 2023-05-12 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
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1BD8
 | | STRUCTURE OF CDK INHIBITOR P19INK4D | | 分子名称: | P19INK4D CDK4/6 INHIBITOR | | 著者 | Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A. | | 登録日 | 1998-05-12 | | 公開日 | 1998-10-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a.
Structure, 6, 1998
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4MDN
 | | Structure of a novel submicromolar MDM2 inhibitor | | 分子名称: | 3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 著者 | Bista, M, Popowicz, G, Holak, T.A. | | 登録日 | 2013-08-23 | | 公開日 | 2013-11-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
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4MDQ
 | | Structure of a novel submicromolar MDM2 inhibitor | | 分子名称: | 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Bista, M, Popowicz, G, Holak, T.A. | | 登録日 | 2013-08-23 | | 公開日 | 2013-11-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.119 Å) | | 主引用文献 | Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
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2GRC
 | | 1.5 A structure of bromodomain from human BRG1 protein, a central ATPase of SWI/SNF remodeling complex | | 分子名称: | Probable global transcription activator SNF2L4 | | 著者 | Singh, M, Popowicz, G.M, Krajewski, M, Holak, T.A. | | 登録日 | 2006-04-24 | | 公開日 | 2007-05-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural ramification for acetyl-lysine recognition by the bromodomain of human BRG1 protein, a central ATPase of the SWI/SNF remodeling complex.
Chembiochem, 8, 2007
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7NLD
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | 分子名称: | 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 | | 著者 | Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A. | | 登録日 | 2021-02-22 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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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5N2F
 | | Structure of PD-L1/small-molecule inhibitor complex | | 分子名称: | 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 | | 著者 | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | | 登録日 | 2017-02-07 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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
 | | Crystal structure of FAS1 domain of hyaluronic acid receptor stabilin-2 | | 分子名称: | Stabilin-2 | | 著者 | Twarda-Clapa, A, Labuzek, B, Grudnik, P, Dubin, G, Holak, T.A. | | 登録日 | 2017-02-23 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.484 Å) | | 主引用文献 | 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
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | 分子名称: | (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 | | 著者 | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | | 登録日 | 2017-03-27 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | 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
 | | Structure of PD-L1/small-molecule inhibitor complex | | 分子名称: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | | 著者 | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | | 登録日 | 2017-02-07 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | 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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6YCR
 | | Structure of human PD-L1 in complex with inhibitor | | 分子名称: | FFIVIRDRVFR(CCS)G(NH2), Programmed cell death 1 ligand 1 | | 著者 | Magiera-Mularz, K, Grudnik, P, Kuska, K, Holak, T.A, Dubin, G. | | 登録日 | 2020-03-18 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Macrocyclic Peptide Inhibitor of PD-1/PD-L1 Immune Checkpoint
Adv. Ther., 2020
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7AD0
 | | X-ray structure of Mdm2 with modified p53 peptide | | 分子名称: | E3 ubiquitin-protein ligase Mdm2, Modified p53 peptide | | 著者 | Twarda-Clapa, A, Fortuna, P, Grudnik, P, Dubin, G, Berlicki, L, Holak, T.A. | | 登録日 | 2020-09-13 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | 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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5J7F
 | | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | | 分子名称: | 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 | | 著者 | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | 登録日 | 2016-04-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
 | | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | | 分子名称: | 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 | | 著者 | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | 登録日 | 2016-04-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 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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