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Fluorine in PDB, part 83 (files: 3281-3320), PDB 4uwg-4whq

Experimental structures of coordination spheres of Fluorine (F) in bioorganic molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius around Fluorine atoms. PDB files: 3281-3320 (PDB 4uwg-4whq).
  1. 4uwg (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
  2. 4uwh (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
    Other atoms: Na (2);
  3. 4uwj (F: 2) - Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Capped Pyrazole Sulphonamide Ligand
    Other atoms: Cl (2);
  4. 4uwk (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
    Other atoms: Cl (1);
  5. 4uwl (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
  6. 4uxl (F: 1) - Structure of Human ROS1 Kinase Domain in Complex with Pf-06463922
  7. 4uxq (F: 3) - FGFR4 in Complex with Ponatinib
  8. 4uxr (F: 4) - Conserved Mechanisms of Microtubule-Stimulated Adp Release, Atp Binding, and Force Generation in Transport Kinesins
    Other atoms: Mg (2); Al (1); Zn (1);
  9. 4uy0 (F: 4) - Conserved Mechanisms of Microtubule-Stimulated Adp Release, Atp Binding, and Force Generation in Transport Kinesins
    Other atoms: Mg (2); Al (1); Zn (1);
  10. 4uym (F: 6) - Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with Voriconazole
    Other atoms: Fe (2);
  11. 4uzh (F: 1) - SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases
  12. 4v01 (F: 6) - FGFR1 in Complex with Ponatinib (Co-Crystallisation).
  13. 4v04 (F: 6) - FGFR1 in Complex with Ponatinib.
  14. 4v0s (F: 20) - Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative
    Other atoms: Cl (2); Na (1);
  15. 4v20 (F: 1) - The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex
    Other atoms: Zn (2);
  16. 4v25 (F: 2) - Ver-246608, A Novel Pan-Isoform Atp Competitive Inhibitor of Pyruvate Dehydrogenase Kinase, Disrupts Warburg Metabolism and Induces Context-Dependent Cytostasis in Cancer Cells
    Other atoms: Mg (1); Cl (2);
  17. 4v26 (F: 3) - Ver-246608, A Novel Pan-Isoform Atp Competitive Inhibitor of Pyruvate Dehydrogenase Kinase, Disrupts Warburg Metabolism and Induces Context-Dependent Cytostasis in Cancer Cells
    Other atoms: Mg (2); Cl (2);
  18. 4v3v (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-(2-(1H-Imidazol-1-Yl)-4-Pyrimidylmethyl)- 3-(3-Fluorophenyl)Propan-1-Amine
    Other atoms: Fe (2); Zn (1);
  19. 4v3w (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(2-(1H-Imidazol-1-Yl)Pyrimidin-4-Yl)-N-( 3-Fluorophenethyl)Ethan-1-Amine
    Other atoms: Fe (2); Zn (1);
  20. 4v3x (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin-4-Yl) Ethyl-3-(3-Fluorophenyl)Propan-1-Amine
    Other atoms: Fe (2); Zn (1);
  21. 4v3z (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(2-(1H-Imidazol-1-Yl)Pyrimidin-4-Yl)-N-( 2-(3-Fluorophenyl)Cyclopropylmethyl)Ethan-1-Amine
    Other atoms: Fe (2); Zn (1);
  22. 4w1v (F: 2) - Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor
    Other atoms: Cl (1);
  23. 4w4x (F: 1) - JNK2/3 in Complex with 3-(4-{[(4-Fluorophenyl)Carbamoyl]Amino}-1H- Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)Benzamide
  24. 4w5c (F: 7) - Crystal Structure Analysis of Cruzain with Three Fragments: 1 (N-(1H- Benzimidazol-2-Yl)-1,3-Dimethyl-Pyrazole-4-Carboxamide), 6 (2-Amino- 4,6-Difluorobenzothiazole) and 9 (N-(1H-Benzimidazol-2-Yl)-3-(4- Fluorophenyl)-1H-Pyrazole-4-Carboxamide).
  25. 4w6z (F: 12) - Yeast Alcohol Dehydrogenase I, Saccharomyces Cerevisiae Fermentative Enzyme
    Other atoms: I (2); Zn (8);
  26. 4w9w (F: 2) - Crystal Structure of Bmp-2-Inducible Kinase in Complex with Small Molecule Azd-7762
  27. 4wab (F: 3) - Crystal Structure of MPGES1 Solved By Native-Sad Phasing
    Other atoms: Cl (2);
  28. 4wef (F: 10) - Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Difluorosialic Acid
    Other atoms: Ca (2);
  29. 4weg (F: 4) - Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid
    Other atoms: Ca (1);
  30. 4wet (F: 3) - Crystal Structure of E.Coli Dsba in Complex with Compound 16
    Other atoms: Na (1);
  31. 4wev (F: 1) - Crystal Structure of Human AKR1B10 Complexed with Nadp+ and Sulindac
  32. 4wey (F: 3) - Crystal Structure of E.Coli Dsba in Complex with Compound 17
  33. 4wf4 (F: 3) - Crystal Structure of E.Coli Dsba Co-Crystallised in Complex with Compound 4
  34. 4wf5 (F: 6) - Crystal Structure of E.Coli Dsba Soaked with Compound 4
    Other atoms: Cu (1);
  35. 4wf6 (F: 1) - Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor Mk-31
    Other atoms: Zn (1);
  36. 4wfa (F: 1) - The Crystal Structure of the Large Ribosomal Subunit of Staphylococcus Aureus in Complex with Linezolid
    Other atoms: Mg (246); Mn (195); Na (1);
  37. 4wgi (F: 4) - A Single Diastereomer of A Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
    Other atoms: Mg (1);
  38. 4wh7 (F: 2) - Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand
  39. 4wh9 (F: 1) - Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor
  40. 4whq (F: 18) - Alkylperoxo Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 6.5
    Other atoms: Fe (3); Cl (3); Na (1);
Page generated: Fri May 13 23:04:10 2022

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