2CTI
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1CTI
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9EO0
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![BU of 9eo0 by Molmil](/molmil-images/mine/9eo0) | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | Deposit date: | 2024-03-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction. Acs Med.Chem.Lett., 15, 2024
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7BEA
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![BU of 7bea by Molmil](/molmil-images/mine/7bea) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | Descriptor: | 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 | Authors: | Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A. | Deposit date: | 2020-12-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists. Acs Med.Chem.Lett., 12, 2021
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1SVR
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1TLE
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![BU of 1tle by Molmil](/molmil-images/mine/1tle) | LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT PH 3.5 AND 290 K, NMR, 14 STRUCTURES | Descriptor: | LAMININ | Authors: | Baumgartner, R, Czisch, M, Mayer, U, Schl, E.P, Huber, R, Timpl, R, Holak, T.A. | Deposit date: | 1996-01-26 | Release date: | 1997-02-12 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of the nidogen binding LE module of the laminin gamma1 chain in solution. J.Mol.Biol., 257, 1996
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4PYU
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![BU of 4pyu by Molmil](/molmil-images/mine/4pyu) | The conserved ubiquitin-like protein hub1 plays a critical role in splicing in human cells | Descriptor: | U4/U6.U5 tri-snRNP-associated protein 1, Ubiquitin-like protein 5 | Authors: | Ammon, T, Mishra, S.K, Kowalska, K, Popowicz, G.M, Holak, T.A, Jentsch, S. | Deposit date: | 2014-03-28 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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8ALX
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![BU of 8alx by Molmil](/molmil-images/mine/8alx) | Structure of human PD-L1 in complex with inhibitor | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | Authors: | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | Deposit date: | 2022-08-01 | Release date: | 2023-08-16 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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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3CTI
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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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7NLD
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![BU of 7nld by Molmil](/molmil-images/mine/7nld) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | 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 | Authors: | Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A. | Deposit date: | 2021-02-22 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 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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8P1O
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![BU of 8p1o by Molmil](/molmil-images/mine/8p1o) | Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives | Descriptor: | (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, ... | Authors: | Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A. | Deposit date: | 2023-05-12 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives. Acs Med.Chem.Lett., 15, 2024
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4MDN
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![BU of 4mdn by Molmil](/molmil-images/mine/4mdn) | Structure of a novel submicromolar MDM2 inhibitor | Descriptor: | 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 | Authors: | Bista, M, Popowicz, G, Holak, T.A. | Deposit date: | 2013-08-23 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction. Structure, 21, 2013
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4MDQ
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![BU of 4mdq by Molmil](/molmil-images/mine/4mdq) | Structure of a novel submicromolar MDM2 inhibitor | Descriptor: | 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 | Authors: | Bista, M, Popowicz, G, Holak, T.A. | Deposit date: | 2013-08-23 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction. Structure, 21, 2013
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6SRU
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![BU of 6sru by Molmil](/molmil-images/mine/6sru) | Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1) | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A. | Deposit date: | 2019-09-06 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Human and mouse PD-L1: similar molecular structure, but different druggability profiles. Iscience, 24, 2021
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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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3FDO
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3G03
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1WLH
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![BU of 1wlh by Molmil](/molmil-images/mine/1wlh) | Molecular structure of the rod domain of Dictyostelium filamin | Descriptor: | Gelation factor | Authors: | Popowicz, G.M, Mueller, R, Noegel, A.A, Schleicher, M, Huber, R, Holak, T.A. | Deposit date: | 2004-06-27 | Release date: | 2004-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular structure of the rod domain of dictyostelium filamin J.Mol.Biol., 342, 2004
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6RPG
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![BU of 6rpg by Molmil](/molmil-images/mine/6rpg) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | Descriptor: | 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 | Authors: | Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L. | Deposit date: | 2019-05-14 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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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1WQJ
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![BU of 1wqj by Molmil](/molmil-images/mine/1wqj) | Structural Basis for the Regulation of Insulin-Like Growth Factors (IGFs) by IGF Binding Proteins (IGFBPs) | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor binding protein 4 | Authors: | Siwanowicz, I, Popowicz, G.M, Wisniewska, M, Huber, R, Kuenkele, K.P, Lang, K, Engh, R.A, Holak, T.A. | Deposit date: | 2004-09-29 | Release date: | 2005-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the regulation of insulin-like growth factors by IGF binding proteins Structure, 13, 2005
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3PLU
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![BU of 3plu by Molmil](/molmil-images/mine/3plu) | Structure of Hub-1 protein in complex with Snu66 peptide (HINDI) | Descriptor: | 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1 | Authors: | Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S. | Deposit date: | 2010-11-15 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing. Nature, 474, 2011
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3PLV
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![BU of 3plv by Molmil](/molmil-images/mine/3plv) | Structure of Hub-1 protein in complex with Snu66 peptide (HINDII) | Descriptor: | 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1 | Authors: | Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S. | Deposit date: | 2010-11-15 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing. Nature, 474, 2011
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5J7F
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![BU of 5j7f by Molmil](/molmil-images/mine/5j7f) | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | Descriptor: | 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 | Authors: | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | Deposit date: | 2016-04-06 | Release date: | 2017-05-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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