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Fluorine in PDB, part 151 (files: 6001-6040), PDB 6pmb-6qei

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: 6001-6040 (PDB 6pmb-6qei).
  1. 6pmb (F: 3) - Trk-A in Complex with Ligand 1A
  2. 6pmd (F: 22) - Structure of Clpp From Staphylococcus Aureus in Complex with Acyldepsipeptide
  3. 6pp9 (F: 1) - Crystal Structure of Braf:MEK1 Complex
    Other atoms: Mg (2); I (1); Cl (2);
  4. 6prf (F: 4) - Hiv-1 Protease Multiple Drug Resistant Clinical Isolate Mutant PR20 with Grl-14213A
    Other atoms: Y (9);
  5. 6pt2 (F: 12) - Crystal Structure of the Active Delta Opioid Receptor in Complex with the Peptide Agonist KGCHM07
  6. 6pu7 (F: 2) - Human IDO1 in Complex with Compound 17 (N-{2-[(4-{N-[(7S)-4- Fluorobicyclo[4.2.0]Octa-1,3,5-Trien-7-Yl]-N'-Hydroxycarbamimidoyl}- 1,2,5-Oxadiazol-3-Yl)Sulfanyl]Ethyl}Acetamide)
    Other atoms: Fe (2);
  7. 6puw (F: 3) - Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Bictegravir (Bic)
    Other atoms: Mg (2); Zn (2);
  8. 6puy (F: 2) - Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D)
    Other atoms: Mg (2); Zn (2);
  9. 6puz (F: 2) - Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ446 (Compound 4F)
    Other atoms: Mg (2); Zn (2);
  10. 6pyy (F: 8) - Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
    Other atoms: Fe (4);
  11. 6pyz (F: 4) - Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site
    Other atoms: Fe (4);
  12. 6pz1 (F: 3) - Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site
    Other atoms: Fe (2);
  13. 6pz4 (F: 2) - Co-Crystal Structure of Bace with Inhibitor Am-6494
    Other atoms: I (3);
  14. 6pzo (F: 6) - Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Yx-153
    Other atoms: K (4); Zn (2);
  15. 6q0j (F: 2) - Structure of A Mapk Pathway Complex
    Other atoms: Mg (2); I (2);
  16. 6q0t (F: 1) - Structure of A Mapk Pathway Complex
    Other atoms: Mg (1); I (1);
  17. 6q2t (F: 9) - Human Sterol 14A-Demethylase (CYP51) in Complex with the Functionally Irreversible Inhibitor (R)-N-(1-(3-Chloro-4'-Fluoro-[1,1'-Biphenyl]- 4-Yl)-2-(1H-Imidazol-1-Yl)Ethyl)-4-(5-(3-Fluoro-5-(5-Fluoropyrimidin- 4-Yl)Phenyl)-1,3,4-Oxadiazol-2-Yl)Benzamide
    Other atoms: Fe (2); Cl (3);
  18. 6q2w (F: 6) - Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
    Other atoms: Cl (4);
  19. 6q6f (F: 2) - Crystal Structure of IDH1 R132H in Complex with HMS101
  20. 6q7b (F: 3) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL09
  21. 6q7c (F: 3) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL11
  22. 6q7d (F: 3) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL13
  23. 6q7e (F: 6) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14
  24. 6q7f (F: 6) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18
  25. 6q7g (F: 3) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATHA01
  26. 6q7h (F: 6) - RORCVAR2 (Rorgt, 264-499) in Complex with Compound 9 at 2.3A: Identification of N-Aryl Imidazoles As Potent and Selective Rorgt Inhibitors
    Other atoms: Cl (6);
  27. 6q7v (F: 8) - Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Compound 11
  28. 6q7w (F: 4) - Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Compound 20
  29. 6q9h (F: 1) - HDM2 (17-111, Wild Type) Complexed with Compound 11 at 2.0A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes
    Other atoms: Cl (2);
  30. 6q9o (F: 2) - HDM2 (17-111, Wildtype) Complexed with Compound 10 at 1.21A; Structural States of HDM2 and Hdmx: X-Ray Elucidation of Adaptations and Binding Interactions For Different Chemical Compound Classes
    Other atoms: Cl (4);
  31. 6qas (F: 9) - Crystal Structure of ULK1 in Complexed with Pf-03814735
  32. 6qba (F: 3) - Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with Non-Retinoid Ligand A1120 and Engineered Binding Scaffold
    Other atoms: Zn (3);
  33. 6qbs (F: 6) - The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
    Other atoms: Ca (1); Cl (2);
  34. 6qdy (F: 1) - The Crystal Structure of Sporosarcina Pasteurii Urease in Complex with Its Substrate Urea
    Other atoms: Ni (2);
  35. 6qdz (F: 2) - P38 Alpha Complex with AR117045
  36. 6qe1 (F: 2) - P38 Alpha Complex with AR117046
  37. 6qed (F: 1) - Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide
    Other atoms: Mn (2); Cl (1);
  38. 6qee (F: 4) - Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar.
  39. 6qef (F: 1) - Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-Phenyl-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro-Benzylamide
    Other atoms: Mn (2); Cl (1);
  40. 6qei (F: 2) - Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor 5,6-Difluoro-3-(2-Isopropoxy-4-Piperazin-1-Yl-Phenyl)- 1H-Indole-2-Carboxylic Acid Amide
    Other atoms: Mn (2);
Page generated: Wed Nov 4 04:25:47 2020

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