2YIX
 
 | | Triazolopyridine Inhibitors of p38 | | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | | Deposit date: | 2011-05-17 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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7B3A
 | | Crystal structure of PamZ | | Descriptor: | ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ... | | Authors: | Loll, B, Dang, T, Mainz, A, Suessmuth, R, Wahl, M.C. | | Deposit date: | 2020-11-30 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Molecular basis of antibiotic self-resistance in a bee larvae pathogen.
Nat Commun, 13, 2022
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6ZJC
 | | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione and triethyltin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase, ... | | Authors: | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | | Deposit date: | 2020-06-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
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6ZJ9
 | | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione | | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase | | Authors: | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | | Deposit date: | 2020-06-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
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6ET8
 | | Crystal structure of AlbA in complex with albicidin | | Descriptor: | Albicidin resistance protein, SULFATE ION, albicidin | | Authors: | Driller, R, Rostock, L, Alings, C, Graetz, S, Suessmuth, R, Mainz, A, Wahl, M.C, Loll, B. | | Deposit date: | 2017-10-25 | | Release date: | 2018-08-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular insights into antibiotic resistance - how a binding protein traps albicidin.
Nat Commun, 9, 2018
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1S1N
 | | SH3 domain of human nephrocystin | | Descriptor: | Nephrocystin 1 | | Authors: | Le Maire, A, Weber, T, Saunier, S, Antignac, C, Ducruix, A, Dardel, F. | | Deposit date: | 2004-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the SH3 domain of human nephrocystin and analysis of a mutation-causing juvenile nephronophthisis.
Proteins, 59, 2005
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2CKK
 | | High resolution crystal structure of the human kin17 C-terminal domain containing a kow motif | | Descriptor: | ACETATE ION, IODIDE ION, KIN17 | | Authors: | le Maire, A, Schiltz, M, Pinon-Lataillade, G, Stura, E, Couprie, J, Gondry, M, Angulo-Mora, J, Zinn-Justin, S. | | Deposit date: | 2006-04-20 | | Release date: | 2006-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Tandem of SH3-Like Domains Participates in RNA Binding in Kin17, a Human Protein Activated in Response to Genotoxics.
J.Mol.Biol., 364, 2006
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4CSJ
 | | The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation | | Descriptor: | 1,2-ETHANEDIOL, GLUCOCORTICOID RECEPTOR, N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, ... | | Authors: | Edman, K, Ahlgren, R, Bengtsson, M, Bladh, H, Backstrom, S, Dahmen, J, Henriksson, K, Hillertz, P, Hulikal, V, Jerre, A, Kinchin, L, Kase, C, Lepisto, M, Mile, I, Nilsson, S, Smailagic, A, Taylor, J, Tjornebo, A, Wissler, L, Hansson, T. | | Deposit date: | 2014-03-07 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation.
Bioorg.Med.Chem.Lett., 24, 2014
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3E94
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8CAV
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ... | | Authors: | Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8CAR
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | Descriptor: | NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase | | Authors: | Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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2VE7
 | | Crystal structure of a bonsai version of the human Ndc80 complex | | Descriptor: | GLYCEROL, KINETOCHORE PROTEIN HEC1, KINETOCHORE PROTEIN SPC25, ... | | Authors: | Ciferri, C, Pasqualato, S, Dos Reis, G, Screpanti, E, Maiolica, A, Polka, J, De Luca, J.G, De Wulf, P, Salek, M, Rappsilber, J, Moores, C.A, Salmon, E.D, Musacchio, A. | | Deposit date: | 2007-10-17 | | Release date: | 2008-05-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Implications for Kinetochore-Microtubule Attachment from the Structure of an Engineered Ndc80 Complex
Cell(Cambridge,Mass.), 133, 2008
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2V1N
 | | SOLUTION STRUCTURE OF THE REGION 51-160 OF HUMAN KIN17 REVEALS A WINGED HELIX FOLD | | Descriptor: | PROTEIN KIN HOMOLOG | | Authors: | Carlier, L, Le Maire, A, Gondry, M, Guilhaudis, L, Milazzo, I, Davoust, D, Couprie, J, Gilquin, B, Zinn-Justin, S. | | Deposit date: | 2007-05-27 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Region 51-160 of Human Kin17 Reveals an Atypical Winged Helix Domain
Protein Sci., 16, 2007
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6AN1
 | | Crystal structure of the complex between PPARgamma LBD and the ligand AM-879 | | Descriptor: | 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Veras, H, Figueira, A.C, le Maire, A. | | Deposit date: | 2017-08-11 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.687 Å) | | Cite: | Screening for PPAR Non-Agonist Ligands Followed by Characterization of a Hit, AM-879, with Additional No-Adipogenic and cdk5-Mediated Phosphorylation Inhibition Properties.
Front Endocrinol (Lausanne), 9, 2018
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6JCE
 | | NMR solution and X-ray crystal structures of a DNA containing both right-and left-handed parallel-stranded G-quadruplexes | | Descriptor: | 29-mer DNA | | Authors: | Winnerdy, F.R, Bakalar, B, Maity, A, Vandana, J.J, Mechulam, Y, Schmitt, E, Phan, A.T. | | Deposit date: | 2019-01-28 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR solution and X-ray crystal structures of a DNA molecule containing both right- and left-handed parallel-stranded G-quadruplexes.
Nucleic Acids Res., 47, 2019
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8AGH
 | | BK Polyomavirus VP1 mutant E73A | | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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8AGO
 | | BK Polyomavirus VP1 mutant E73Q | | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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8AH0
 | | BK Polyomavirus VP1 mutant VQQ | | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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8AH1
 | | BK Polyomavirus VP1 mutant N-Q | | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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7D5D
 | | Left-handed G-quadruplex containing one bulge | | Descriptor: | 1xBulge-LHG4motif, POTASSIUM ION, SPERMINE | | Authors: | Das, P, Ngo, K.H, Winnerdy, F.R, Maity, A, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
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7D5E
 | | Left-handed G-quadruplex containing two bulges | | Descriptor: | 2xBulge-LHG4motif, POTASSIUM ION, SODIUM ION, ... | | Authors: | Das, P, Maity, A, Ngo, K.H, Winnerdy, F.R, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.296 Å) | | Cite: | Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
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7D5F
 | | Left-handed G-quadruplex containing 3 bulges | | Descriptor: | 3xBulge-LHG4motif | | Authors: | Winnerdy, F.R, Das, P, Ngo, K.H, Maity, A, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
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7DFY
 | | Novel motif for left-handed G-quadruplex formation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2xMotif2, POTASSIUM ION, ... | | Authors: | Das, P, Winnerdy, F.R, Maity, A, Mechulam, Y, Phan, A.T. | | Deposit date: | 2020-11-10 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A novel minimal motif for left-handed G-quadruplex formation.
Chem.Commun.(Camb.), 57, 2021
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7LWF
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-9320 | | Descriptor: | B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-01 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LWE
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-7629 | | Descriptor: | ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-01 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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