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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7BEA
| Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | 分子名称: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine, Programmed cell death 1 ligand 1 | 著者 | Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A. | 登録日 | 2020-12-22 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists. Acs Med.Chem.Lett., 12, 2021
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6SRU
| Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1) | 分子名称: | Programmed cell death 1 ligand 1 | 著者 | Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A. | 登録日 | 2019-09-06 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.532 Å) | 主引用文献 | Human and mouse PD-L1: similar molecular structure, but different druggability profiles. Iscience, 24, 2021
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6RPG
| Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | 分子名称: | Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide | 著者 | Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L. | 登録日 | 2019-05-14 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J.Med.Chem., 62, 2019
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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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8ALX
| Structure of human PD-L1 in complex with inhibitor | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | 著者 | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | 登録日 | 2022-08-01 | 公開日 | 2023-08-16 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies. Mol Cancer, 22, 2023
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8R6Q
| Co-crystal structure of PD-L1 with low molecular weight inhibitor | 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, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J. | 登録日 | 2023-11-22 | 公開日 | 2024-01-17 | 最終更新日 | 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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8AEU
| Structure of hMDM2 in complex with Nutlin-3a-aa | 分子名称: | 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2 | 著者 | Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T. | 登録日 | 2022-07-13 | 公開日 | 2023-01-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group. Chembiochem, 24, 2023
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8OR1
| Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | 分子名称: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1 | 著者 | Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W. | 登録日 | 2023-04-12 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors. J.Med.Chem., 66, 2023
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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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8P64
| Co-crystal structure of PD-L1 with low molecular weight inhibitor | 分子名称: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | 著者 | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | 登録日 | 2023-05-25 | 公開日 | 2024-03-06 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3.312 Å) | 主引用文献 | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists. Rsc Med Chem, 15, 2024
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