3V3V
 
 | | Structural and functional analysis of quercetagetin, a natural JNK1 inhibitor | | Descriptor: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, C-Jun-amino-terminal kinase-interacting protein 1, CHLORIDE ION, ... | | Authors: | Baek, S, Kang, N.J, Popowicz, G.M, Arciniega, M, Jung, S.K, Byun, S, Song, N.R, Heo, Y.S, Kim, B.Y, Lee, H.J, Holak, T.A, Augustin, M, Bode, A.M, Huber, R, Dong, Z, Lee, K.W. | | Deposit date: | 2011-12-14 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Functional Analysis of the Natural JNK1 Inhibitor Quercetagetin.
J.Mol.Biol., 425, 2013
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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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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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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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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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1GNC
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1HCE
 | | 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: | 1994-07-12 | | Release date: | 1994-09-30 | | 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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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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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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4ZQK
 | | Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1. | | Descriptor: | Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION | | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | | Deposit date: | 2015-05-10 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 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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4ZFI
 | | Structure of Mdm2 with low molecular weight inhibitor | | Descriptor: | (5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2015-04-21 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
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4ZGK
 | | Structure of Mdm2 with low molecular weight inhibitor. | | Descriptor: | (5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2015-04-23 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
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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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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
 | | 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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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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3TC5
 | | Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives | | Descriptor: | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate, HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Graeber, M, Janczyk, W, Sperl, B, Elumalai, N, Kozany, C, Hausch, F, Holak, T.A, Berg, T. | | Deposit date: | 2011-08-08 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Selective targeting of disease-relevant protein binding domains by o-phosphorylated natural product derivatives.
Acs Chem.Biol., 6, 2011
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3TJ2
 | | Structure of a novel submicromolar MDM2 inhibitor | | Descriptor: | 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, POTASSIUM ION | | Authors: | Wolf, S, Huang, Y, Popowicz, G.M, Goda, S, Holak, T.A, Doemling, A. | | Deposit date: | 2011-08-23 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ugi Multicomponent Reaction Derived p53-Mdm2 Antagonists
To be published
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3DAC
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3DAB
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3FDO
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3G03
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2DSQ
 | | Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 1, Insulin-like growth factor-binding protein 4 | | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2DSP
 | | Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4 | | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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