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Fluorine in PDB, part 84 (files: 3321-3360), PDB 4whq-4x6h

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: 3321-3360 (PDB 4whq-4x6h).
  1. 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);
  2. 4whr (F: 15) - Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5
    Other atoms: Fe (3); Cl (1);
  3. 4whs (F: 13) - 4-Fluorocatechol Bound to Protocatechuate 3,4-Dioxygenase (Pseudomonas Putida) at pH 8.5
    Other atoms: Fe (3); Cl (3);
  4. 4wi1 (F: 10) - Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506
    Other atoms: Mg (1); Cl (1);
  5. 4wkq (F: 1) - 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib
    Other atoms: Cl (1); Na (1);
  6. 4wlb (F: 2) - Crystal Structure of Rorc in Complex with A Partial Inverse Agonist Compound
  7. 4wm7 (F: 3) - Crystal Structure of Human Enterovirus D68 in Complex with Pleconaril
  8. 4wmv (F: 1) - Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A
    Other atoms: Mg (1); Cl (2);
  9. 4wmz (F: 2) - S. Cerevisiae CYP51 Complexed with Fluconazole in the Active Site
    Other atoms: Fe (1);
  10. 4wnk (F: 1) - Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022
  11. 4wo5 (F: 4) - Crystal Structure of A Braf Kinase Domain Monomer
    Other atoms: Cl (2);
  12. 4wot (F: 8) - ROCK2 in Complex with 1426382-07-1
  13. 4wpd (F: 2) - X-Ray Crystal Structure of CYP119 Complexed with 4-(4-Flourophenyl)- 1H-Imidazole
    Other atoms: Fe (2);
  14. 4wpf (F: 2) - Crystal Structure of Rorc in Complex with A Phenyl Sulfonamide Agonist
  15. 4wpy (F: 3) - Racemic Crystal Structure of RV1738 From Mycobacterium Tuberculosis (Form-II)
  16. 4wr7 (F: 8) - Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide.
    Other atoms: Zn (2);
  17. 4wrs (F: 2) - Crystal Structure of Human Pim-1 Kinase in Complex with An Azaspiro Pyrazinyl-Indazole Inhibitor.
  18. 4wry (F: 1) - Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil(B), Form I
    Other atoms: Cl (1);
  19. 4wrz (F: 2) - Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I
    Other atoms: Cl (1);
  20. 4ws0 (F: 1) - Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (A), Form II
    Other atoms: Cl (1);
  21. 4ws1 (F: 2) - Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II
    Other atoms: Cl (1);
  22. 4wt2 (F: 1) - Co-Crystal Structure of MDM2 in Complex with Am-7209
    Other atoms: Cl (2);
  23. 4wtg (F: 1) - Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu
    Other atoms: Mn (3); Cl (1);
  24. 4wtu (F: 2) - Crystal Structure of BACE1 in Complex with 2-Aminooxazoline 3-Aza-4- Fluoro-Xanthene Inhibitor 22
    Other atoms: I (4);
  25. 4wua (F: 3) - Crystal Structure of Human SRPK1 Complexed to An Inhibitor SRPIN340
  26. 4wuq (F: 8) - Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide
    Other atoms: Zn (2);
  27. 4wvf (F: 8) - Crystal Structure of KPT276 in Complex with CRM1-Ran-RANBP1
    Other atoms: Mg (1); Cl (3);
  28. 4ww6 (F: 8) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide
    Other atoms: Zn (1);
  29. 4wwn (F: 1) - Crystal Structure of Human PI3K-Gamma in Complex with (S)-N-(1-(7- Fluoro-2-(Pyridin-2-Yl)Quinolin-3-Yl)Ethyl)-9H-Purin-6-Amine AMG319 Inhibitor
  30. 4wwo (F: 1) - Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine
    Other atoms: Cl (1);
  31. 4wx2 (F: 9) - Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
    Other atoms: Na (1);
  32. 4wy1 (F: 2) - Crystal Structure of Human Bace-1 Bound to Compound 24B
  33. 4wy6 (F: 3) - Crystal Structure of Human Bace-1 Bound to Compound 36
    Other atoms: I (5);
  34. 4x00 (F: 3) - X-Ray Crystal Structure of A Putative Aryl Esterase From Burkholderia Cenocepacia
  35. 4x2l (F: 2) - Crystal Structure of Human Bace-1 Bound to Compound 6
    Other atoms: I (2); Na (2);
  36. 4x30 (F: 1) - Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution
    Other atoms: I (4); Na (1);
  37. 4x3j (F: 4) - Selection of Fragments For Kinase Inhibitor Design: Decoration Is Key
  38. 4x5y (F: 3) - Menin in Complex with Mi-503
  39. 4x5z (F: 3) - Menin in Complex with Mi-136
  40. 4x6h (F: 2) - Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors.
Page generated: Tue Dec 1 09:23:11 2020

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