8USS
| IL17A complexed to Compound 7 | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8DYG
| IL17A homodimer bound to Compound 7 | Descriptor: | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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5VB9
| IL-17A in complex with peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ... | Authors: | Antonysamy, S, Russell, M, Zhang, A, Groshong, C, Manglicmot, D, Lu, F, Benach, J, Wasserman, S.R, Zhang, F, Afshar, S, Bina, H, Broughton, H, Chalmers, M, Dodge, J, Espada, A, Jones, S, Ting, J.P, Woodman, M. | Deposit date: | 2017-03-28 | Release date: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery. PLoS ONE, 13, 2018
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5HI5
| Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | Descriptor: | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ... | Authors: | Liu, S. | Deposit date: | 2016-01-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists. Sci Rep, 6, 2016
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5HI4
| Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | Descriptor: | (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ... | Authors: | Liu, S. | Deposit date: | 2016-01-11 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists. Sci Rep, 6, 2016
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8USR
| IL17A homodimer complexed to Compound 23 | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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7Z2M
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8DYH
| IL17A homodimer bound to Compound 6 | Descriptor: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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5N7W
| Computationally designed functional antibody | Descriptor: | Antibody Fragment Heavy Chain, Antibody Fragment Light Chain, Interleukin-17A | Authors: | Hargreaves, D, Breed, J. | Deposit date: | 2017-02-21 | Release date: | 2018-11-14 | Last modified: | 2018-12-05 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Computational Design of Epitope-Specific Functional Antibodies. Cell Rep, 25, 2018
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8DYF
| IL17A homodimer bound to Compound 10 | Descriptor: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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9FKX
| Crystal structure of IL-17A in complex with compound 18 | Descriptor: | (4~{S})-1-[(~{R})-[2-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[[5-[1,1-bis(fluoranyl)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropyl-methyl]-4-(trifluoromethyl)imidazolidin-2-one, Interleukin-17A | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | Deposit date: | 2024-06-04 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors. J.Med.Chem., 67, 2024
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9FL3
| Crystal structure of IL-17A in complex with compound 26 | Descriptor: | (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | Deposit date: | 2024-06-04 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors. J.Med.Chem., 67, 2024
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6HGO
| Crystal Structure of human IL-17F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17F, ... | Authors: | Rondeau, J.M, Goepfert, A. | Deposit date: | 2018-08-23 | Release date: | 2019-11-20 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling. Immunity, 52, 2020
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5HI3
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6WIO
| Fab antigen complex | Descriptor: | Fab Heavy chain, Fab Light chain, Interleukin-17A | Authors: | Antonysamy, S. | Deposit date: | 2020-04-10 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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4QHU
| Crystal Structure of IL-17A/Fab6785 complex | Descriptor: | CHLORIDE ION, Fab6785 heavy chain, Fab6785 light chain, ... | Authors: | Luo, J, Gilliland, G.L, Malia, T, Obmolova, G, Teplyakov, A. | Deposit date: | 2014-05-29 | Release date: | 2015-08-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | IL-17A Asymmetry in a Complex with a Neutralizing Antibody Fab6785 Reveals a Potential Mechanism of Receptor Differentiation To be Published
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8DY5
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5HHV
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8DYI
| IL17A homodimer bound to Compound 5 | Descriptor: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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5N92
| Crystal Structure of Human IL-17AF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17A, Interleukin-17F | Authors: | Rondeau, J.-M, Goepfert, A. | Deposit date: | 2017-02-24 | Release date: | 2017-09-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties. Sci Rep, 7, 2017
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4HR9
| Human interleukin 17A | Descriptor: | Interleukin-17A | Authors: | Liu, S. | Deposit date: | 2012-10-26 | Release date: | 2013-05-22 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structures of interleukin 17A and its complex with IL-17 receptor A. Nat Commun, 4, 2013
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7AMA
| IL-17A in complex with small molecule modulators | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide | Authors: | Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M. | Deposit date: | 2020-10-08 | Release date: | 2022-04-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases. J.Med.Chem., 65, 2022
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7UWM
| Structure of the IL-17A-IL-17RA binary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | Deposit date: | 2022-05-03 | Release date: | 2022-07-27 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis. Nature, 609, 2022
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2VXS
| Structure of IL-17A in complex with a potent, fully human neutralising antibody | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | Deposit date: | 2008-07-09 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody. J.Mol.Biol., 394, 2009
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8DY1
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