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: | 2024-04-17 | | 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., 2024
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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: | 2024-04-17 | | 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., 2024
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7UCX
 | | LRP8 11H1 Fab complexed to a cyclized CR1 peptide | | Descriptor: | 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ... | | Authors: | Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A. | | Deposit date: | 2022-03-17 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
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2AVT
 | | Crystal structure of the beta subunit from DNA polymerase of Streptococcus pyogenes | | Descriptor: | DNA polymerase III beta subunit | | Authors: | Argiriadi, M.A, Goedken, E.R, Bruck, I, O'donnell, M, Kuriyan, J. | | Deposit date: | 2005-08-30 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a DNA polymerase sliding clamp from a Gram-positive bacterium.
Bmc Struct.Biol., 6, 2006
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1EK1
 | | CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CIU INHIBITOR | | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | | Authors: | Argiriadi, M.A, Morisseau, C, Goodrow, M.H, Dowdy, D.L, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2000-03-06 | | Release date: | 2000-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation.
J.Biol.Chem., 275, 2000
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1EK2
 | | CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CDU INHIBITOR | | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-DECYLUREA | | Authors: | Argiriadi, M.A, Morisseau, C, Goodrow, M.H, Dowdy, D.L, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2000-03-06 | | Release date: | 2000-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation.
J.Biol.Chem., 275, 2000
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3KA0
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3KC3
 | | MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine | | Descriptor: | MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine | | Authors: | Argiriadi, M.A, Talanian, R.V, Borhani, D.W. | | Deposit date: | 2009-10-20 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
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5EUE
 | | S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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5EUD
 | | S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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8TB5
 | | TYK2 JH2 bound to Compound7 | | Descriptor: | ACETATE ION, N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | | Deposit date: | 2023-06-28 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712.
J.Med.Chem., 66, 2023
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8TB6
 | | TYK2 JH2 bound to Compound14 | | Descriptor: | N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | | Deposit date: | 2023-06-28 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712.
J.Med.Chem., 66, 2023
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4E1Z
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4E20
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5T68
 | | Crystal structure of Syk catalytic domain in complex with a furo[3,2-d]pyrimidine | | Descriptor: | N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | | Authors: | Argiriadi, M.A, Hoemann, M, Wilson, N, Banach, D, Burchat, A, Calderwood, D, Clapham, B, Cox, P, Duignan, D.B, Konopacki, D, Somal, G, Vasudevan, A. | | Deposit date: | 2016-09-01 | | Release date: | 2016-10-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Synthesis and optimization of furano[3,2-d]pyrimidines as selective spleen tyrosine kinase (Syk) inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
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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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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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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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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: | 2023-10-18 | | 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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4RA5
 | | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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4QPS
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4RA4
 | | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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2VXU
 | | Crystal structure of murine reference antibody 125-2H Fab fragment | | Descriptor: | MURINE IGG 125-2H | | Authors: | Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W. | | Deposit date: | 2008-07-10 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
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2VXT
 | | Crystal structure of human IL-18 complexed to murine reference antibody 125-2H Fab | | Descriptor: | CHLORIDE ION, INTERLEUKIN-18, MAGNESIUM ION, ... | | Authors: | Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W. | | Deposit date: | 2008-07-10 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
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2VXV
 | | Crystal structure of human IgG ABT-325 Fab Fragment | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, HUMAN IGG ABT-325 | | Authors: | Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W. | | Deposit date: | 2008-07-10 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
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