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PDB: 64 件
5O45
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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
8ALX
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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2023-09-20
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
6NP9
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PD-L1 IgV domain V76T with fragment
分子名称: Programmed cell death 1 ligand 1, SULFATE ION
著者Zhao, B, Perry, E.
登録日2019-01-17
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6YCR
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BU of 6ycr by Molmil
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
8AOK
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Complex of PD-L1 with VHH6
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Kang-Pettinger, T, Hall, G.
登録日2022-08-08
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80.
J.Biol.Chem., 299, 2023
7CZD
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BU of 7czd by Molmil
Crystal structure of PD-L1 in complex with a VHH
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Programmed cell death 1 ligand 1, ...
著者Wang, C.
登録日2020-09-08
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
5JDS
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BU of 5jds by Molmil
Crystal structure of PD-L1 complexed with a nanobody at 1.7 Angstron resolution
分子名称: CHLORIDE ION, Nanobody, Programmed cell death 1 ligand 1, ...
著者Zhou, A, Wei, H.
登録日2016-04-17
公開日2017-04-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
5N2F
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BU of 5n2f by Molmil
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
5C3T
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BU of 5c3t by Molmil
PD-1 binding domain from human PD-L1
分子名称: Programmed cell death 1 ligand 1
著者Zak, K.M, Dubin, G, Holak, T.A.
登録日2015-06-17
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
7OUN
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Structure of human PD-L1 in complex with macrocyclic inhibitor
分子名称: Programmed cell death 1 ligand 1, macrocyclic peptide
著者Zyla, E, Dubin, G.
登録日2021-06-12
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Characterization of a Macrocyclic Peptide Modulator of the PD-1/PD-L1 Immune Checkpoint Axis.
Molecules, 26, 2021
6NNV
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PD-L1 IgV domain complex with macro-cyclic peptide
分子名称: Programmed cell death 1 ligand 1, macrocyclic peptide
著者Zhao, B, Perry, E.
登録日2019-01-15
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
4Z18
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CRYSTAL STRUCTURE OF HUMAN PD-L1
分子名称: CHLORIDE ION, Programmed cell death 1 ligand 1
著者Fedorov, A.A, Fedorov, E.V, Samantha, D, Hillerich, B, Seidel, R.D, Almo, S.C.
登録日2015-03-27
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献CRYSTAL STRUCTURE OF HUMAN PD-L1
To Be Published
7C88
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Complex structure of JS003 and PD-L1
分子名称: JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1
著者Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S.
登録日2020-05-29
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy.
Signal Transduct Target Ther, 5, 2020
6PV9
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Human PD-L1 bound to a macrocyclic peptide which blocks the PD-1/PD-L1 interaction
分子名称: Programmed cell death 1 ligand 1, macrocyclic peptide
著者Appleby, T.C, Lad, L, Gross, M.L.
登録日2019-07-19
公開日2020-01-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein Footprinting and X-ray Crystallography Reveal the Interaction of PD-L1 and a Macrocyclic Peptide.
Biochemistry, 59, 2020
7SJQ
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BU of 7sjq by Molmil
Ex silico engineering of cystine-dense peptides yielding a potent bispecific T-cell engager
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cystine-dense peptide, GLYCEROL, ...
著者Rupert, P.B, Strong, R.
登録日2021-10-18
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
5NIU
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BU of 5niu by Molmil
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
8R6Q
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BU of 8r6q by Molmil
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
8P1O
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BU of 8p1o by Molmil
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
5J89
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BU of 5j89 by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
分子名称: 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1
著者Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
登録日2016-04-07
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
分子名称: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1
著者Cheng, Y, Xiao, Y.B.
登録日2023-07-22
公開日2024-01-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023
6R3K
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Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
分子名称: (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
著者Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A.
登録日2019-03-20
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 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
8AOM
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BU of 8aom by Molmil
Complex of PD-L1 with VHH1
分子名称: MAGNESIUM ION, Programmed cell death 1 ligand 1, VHH6
著者Kang-Pettinger, T, Hall, G.
登録日2022-08-08
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80.
J.Biol.Chem., 299, 2023
7UXO
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BU of 7uxo by Molmil
Structure of PDL1 in complex with FP30790, a Helicon Polypeptide
分子名称: AMINO GROUP, FP30790, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
3SBW
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BU of 3sbw by Molmil
Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human PD-L1
分子名称: Programmed cell death 1 ligand 1, Programmed cell death protein 1
著者Lazar-Molnar, E, Ramagopal, U.A, Cao, E, Nathenson, S.G, Almo, S.C.
登録日2011-06-06
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human PD-L1
To be published
7NLD
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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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