2CTI
 
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1CTI
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2ABZ
 | | Crystal structure of C19A/C43A mutant of leech carboxypeptidase inhibitor in complex with bovine carboxypeptidase A | | Descriptor: | Carboxypeptidase A1, Metallocarboxypeptidase inhibitor, ZINC ION | | Authors: | Arolas, J.L, Popowicz, G.M, Bronsoms, S, Aviles, F.X, Huber, R, Holak, T.A, Ventura, S. | | Deposit date: | 2005-07-18 | | Release date: | 2006-01-31 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond
J.Mol.Biol., 352, 2005
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3RMP
 | | Structural basis for the recognition of attP substrates by P4-like integrases | | Descriptor: | 5'-D(*TP*AP*AP*TP*GP*AP*CP*CP*AP*CP*CP*AP*AP*TP*A)-3', 5'-D(*TP*AP*TP*TP*GP*GP*TP*GP*GP*TP*CP*AP*TP*TP*A)-3', CP4-like integrase | | Authors: | Szwagierczak, A, Popowicz, G.M, Holak, T.A, Rakin, A, Antonenka, U. | | Deposit date: | 2011-04-21 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for the recognition of attP substrates by P4-like integrases
To be Published
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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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1HCD
 | | STRUCTURE OF HISACTOPHILIN IS SIMILAR TO INTERLEUKIN-1 BETA AND FIBROBLAST GROWTH FACTOR | | Descriptor: | HISACTOPHILIN | | Authors: | Habazettl, J, Gondol, D, Wiltscheck, R, Otlewski, J, Schleicher, M, Holak, T.A. | | Deposit date: | 1994-05-03 | | Release date: | 1994-10-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of hisactophilin is similar to interleukin-1 beta and fibroblast growth factor.
Nature, 359, 1992
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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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1H59
 | | Complex of IGFBP-5 with IGF-I | | Descriptor: | INSULIN-LIKE GROWTH FACTOR BINDING PROTEIN 5, INSULIN-LIKE GROWTH FACTOR IA | | Authors: | Zeslawski, W, Beisel, H.G, Kamionka, M, Kalus, W, Engh, R.A, Huber, R, Holak, T.A. | | Deposit date: | 2001-05-21 | | Release date: | 2002-05-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Interaction of Insulin-Like Growth Factor-I with the N-Terminal Domain of Igfbp-5
Embo J., 20, 2001
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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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1I16
 | | STRUCTURE OF INTERLEUKIN 16: IMPLICATIONS FOR FUNCTION, NMR, 20 STRUCTURES | | Descriptor: | INTERLEUKIN 16 | | Authors: | Muehlhahn, P, Zweckstetter, M, Georgescu, J, Ciosto, C, Renner, C, Lanzendoerfer, M, Lang, K, Ambrosius, D, Baier, M, Kurth, R, Holak, T.A. | | Deposit date: | 1998-05-20 | | Release date: | 1999-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of interleukin 16 resembles a PDZ domain with an occluded peptide binding site.
Nat.Struct.Biol., 5, 1998
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5C3T
 | | PD-1 binding domain from human PD-L1 | | Descriptor: | Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | | Deposit date: | 2015-06-17 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
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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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5J7G
 | | 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 (1.85 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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5J89
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | 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 | | Authors: | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
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5J8O
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-08 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
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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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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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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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2Z5S
 | | Molecular basis for the inhibition of p53 by Mdmx | | Descriptor: | Cellular tumor antigen p53, Mdm4 protein | | Authors: | Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A. | | Deposit date: | 2007-07-17 | | Release date: | 2007-11-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
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2Z5T
 | | Molecular basis for the inhibition of p53 by Mdmx | | Descriptor: | Cellular tumor antigen p53, Mdm4 protein | | Authors: | Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A. | | Deposit date: | 2007-07-17 | | Release date: | 2007-11-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
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3JTZ
 | | Structure of the arm-type binding domain of HPI integrase | | Descriptor: | Integrase, SODIUM ION | | Authors: | Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A. | | Deposit date: | 2009-09-14 | | Release date: | 2009-10-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
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3JU0
 | | Structure of the arm-type binding domain of HAI7 integrase | | Descriptor: | Phage integrase | | Authors: | Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A. | | Deposit date: | 2009-09-14 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
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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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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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1ZFI
 | | Solution structure of the leech carboxypeptidase inhibitor | | Descriptor: | Metallocarboxypeptidase inhibitor | | Authors: | Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S. | | Deposit date: | 2005-04-20 | | Release date: | 2005-09-13 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
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