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Fluorine in PDB, part 101 (files: 4001-4040), PDB 5iev-5j7g

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: 4001-4040 (PDB 5iev-5j7g).
  1. 5iev (F: 3) - Crystal Structure of Bay 1000394 (Roniciclib) Bound to CDK2
  2. 5ifd (F: 1) - Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Follow on Fragment Ebsi-4721 1-(4-Fluorophenyl)-1H-Imidazole
  3. 5ihc (F: 2) - Melk in Complex with Nvs-MELK12B
  4. 5iis (F: 1) - Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold
  5. 5ikv (F: 6) - The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
    Other atoms: Co (2);
  6. 5in4 (F: 12) - Crystal Structure of Gdp-Mannose 4,6 Dehydratase Bound to A Gdp-Fucose Based Inhibitor
  7. 5irc (F: 6) - P190A Gap Domain Complex with Rhoa
    Other atoms: Mg (4); Cl (3);
  8. 5irv (F: 16) - Human Cytochrome P450 17A1 Bound to Inhibitor Vt-464
    Other atoms: Fe (4);
  9. 5isk (F: 1) - Endothiapepsin in Complex with Fluorinated Primary Amine Fragment
  10. 5ism (F: 6) - Human DPP4 in Complex with A Novel 5,5,6-Tricyclic Pyrrolidine Inhibitor
    Other atoms: Na (1);
  11. 5iub (F: 2) - Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Compound 12X at 2.1A Resolution
    Other atoms: Na (1);
  12. 5iun (F: 9) - Crystal Structure of the Desk-Desr Complex in the Phosphatase State
    Other atoms: Mg (6);
  13. 5iuq (F: 8) - Galectin-3C in Complex with Bisamido-Thiogalactoside Derivative 4
  14. 5ivf (F: 3) - Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-Methyl-1H- Imidazol-4-Yl)-2-(4,4,4-Trifluorobutoxy)Pyrido[3,4-D]Pyrimidin-4-Ol
    Other atoms: Mn (1);
  15. 5ivj (F: 5) - Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4- Difluoropiperidin-1-Yl)Ethyl]-5-Fluoro-1H-Indazol-3-Yl}Amino) Pyridine-4-Carboxylic Acid]
    Other atoms: Mn (1);
  16. 5ivt (F: 12) - Crystal Structure of Hiv Protease Complexed with [(1S)-1-[(S)-(4- Chlorophenyl)-(3,5-Difluorophenyl)Methyl]-2-[[5-Fluoro-4-[2-[(2R,5S)- 5-(2,2,2-Trifluoroethylcarbamoyloxymethyl)Morpholin-4-Ium-2- Yl]Ethyl]Pyridin-1-Ium-3-Yl]Amino]-2-Oxo-Ethyl]Ammonium
    Other atoms: Cl (4);
  17. 5iwg (F: 3) - HDAC2 with Ligand BRD4884
    Other atoms: Ca (6); Zn (3);
  18. 5iwi (F: 2) - 1.98A Structure of GSK945237 with S.Aureus Dna Gyrase and Singly Nicked Dna
    Other atoms: Mn (5); Cl (1);
  19. 5iwm (F: 2) - 2.5A Structure of GSK945237 with S.Aureus Dna Gyrase and Dna.
    Other atoms: Mn (2);
  20. 5ix0 (F: 3) - HDAC2 with Ligand BRD7232
    Other atoms: Ca (6); Zn (3);
  21. 5ixe (F: 2) - 1.75A Resolution Structure of 5-Fluoroindole Bound Beta-Glycosidase (W33G) From Sulfolobus Solfataricus
    Other atoms: Cl (6);
  22. 5ixk (F: 6) - Rorgamma in Complex with Inverse Agonist BIO399.
  23. 5iz0 (F: 12) - Rorgamma in Complex with Agonist BIO592 and Coactivator EBI96
    Other atoms: Cl (23);
  24. 5j20 (F: 1) - HSP90 in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1, 2,4]Triazol-3-Yl]-N-Furan-2-Ylmethyl-2,4-Dihydroxy-N-Methyl-Benzamide
  25. 5j27 (F: 1) - HSP90 in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1, 2,4]Triazol-3-Yl]-2,4-Dihydroxy-N-Methyl-N-Propyl-Benzenesulfonamide
  26. 5j2m (F: 1) - Hiv-1 Reverse Transcriptase in Complex with Dna and Efda-Triphosphate, A Translocation-Defective Rt Inhibitor
    Other atoms: Mg (3);
  27. 5j2n (F: 1) - Hiv-1 Reverse Transcriptase in Complex with Dna That Has Incorporated Efda-Mp at the P-(Post-Translocation) Site and Dtmp at the N-(Pre- Translocation) Site
    Other atoms: Mg (1);
  28. 5j2p (F: 2) - Hiv-1 Reverse Transcriptase in Complex with Dna That Has Incorporated Efda-Mp at the P-(Post-Translocation) Site and A Second Efda-Mp at the N-(Pre-Translocation) Site
    Other atoms: Mg (1);
  29. 5j2q (F: 2) - Hiv-1 Reverse Transcriptase in Complex with Dna That Has Incorporated A Mismatched Efda-Mp at the N-(Pre-Translocation) Site
    Other atoms: Mg (1);
  30. 5j2x (F: 2) - Crystal Structure of HSP90-Alpha N-Domain in Complex with 5-(5-Bromo- 2,4-Dihydroxy-Phenyl)-4-(2-Fluoro-Phenyl)-2,4-Dihydro-[1,2,4]Triazol- 3-One
    Other atoms: Br (2);
  31. 5j3j (F: 6) - Crystal Structure of Human Dpp-IV in Complex with HL1
  32. 5j5s (F: 6) - Src Kinase in Complex with A Sulfonamide Inhibitor
  33. 5j64 (F: 1) - Crystal Structure of HSP90-Alpha N-Domain in Complex with 5-(2,4- Dihydroxy-Phenyl)-4-(2-Fluoro-Phenyl)-2,4-Dihydro-[1,2,4]Triazol-3- One
  34. 5j6l (F: 1) - Crystal Structure of HSP90-Alpha N-Domain in Complex with N-Butyl-5- [4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1,2,4]Triazol-3-Yl]-2,4- Dihydroxy-N-Methyl-Benzamide
  35. 5j6m (F: 1) - Crystal Structure of HSP90-Alpha N-Domain L107 Mutant in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1,2,4]Triazol-3-Yl]-N- Furan-2-Ylmethyl-2,4-Dihydroxy-N-Methyl-Benzamide
  36. 5j6n (F: 1) - Crystal Structure of HSP90-Alpha N-Domain L107A Mutant in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1,2,4]Triazol-3-Yl]-2,4- Dihydroxy-N-Methyl-N-Propyl-Benzenesulfonamide
  37. 5j6s (F: 3) - Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in Complex with A Hydroxamic Derivative Ligand
    Other atoms: Zn (2);
  38. 5j7b (F: 2) - The Identification and Pharmacological Characterization of 6-(Tert- Butylsulfonyl)-N-(5-Fluoro-1H-Indazol-3-Yl)Quinolin-4-Amine (GSK583), A Highly Potent and Selective Inhibitor of RIP2 Kinase, GSK583 Complex
  39. 5j7f (F: 4) - Structure of MDM2 with Low Molecular Weight Inhibitor with Aliphatic Linker.
    Other atoms: Cl (8);
  40. 5j7g (F: 4) - Structure of MDM2 with Low Molecular Weight Inhibitor with Aliphatic Linker.
    Other atoms: Cl (8);
Page generated: Tue Dec 1 09:24:16 2020

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