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Fluorine in PDB, part 80 (files: 3161-3200), PDB 4qte-4rv6

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: 3161-3200 (PDB 4qte-4rv6).
  1. 4qte (F: 1) - Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide
    Other atoms: Cl (4);
  2. 4qtl (F: 3) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with Inhibitor
    Other atoms: Zn (1);
  3. 4qvx (F: 2) - Discovery of A Potent and Selective Bcl-Xl Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
  4. 4qw9 (F: 2) - Ternary Crystal Structures of A Y-Family Dna Polymerase DPO4 From Sulfolobus Solfataricus in Complex with Dna and (-)Ftc-Ppnp
    Other atoms: Ca (3);
  5. 4qwe (F: 1) - Ternary Crystal Structures of A Y-Family Dna Polymerase DPO4 From Sulfolobus Solfataricus in Complex with Dna and (-)Ftc-Dp
    Other atoms: Ca (3);
  6. 4qxi (F: 1) - Crystal Structure of Human Ar Complexed with Nadp+ and AK198
    Other atoms: Cl (1);
  7. 4qxm (F: 2) - Crystal Structure of the Inha:GSK_SB713 Complex
    Other atoms: Cl (2);
  8. 4qzs (F: 11) - Crystal Structure of the First Bromodomain of Human 3-Fluoro Tyrosine- Labeled BRD4 in Complex with JQ1
    Other atoms: Cl (2);
  9. 4r3c (F: 1) - Crystal Structure of P38 Alpha Map Kinase in Complex with A Novel Isoform Selective Drug Candidate
    Other atoms: Cl (2);
  10. 4r5n (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
    Other atoms: Ni (1);
  11. 4r5w (F: 6) - Human ARTD1 (PARP1) - Catalytic Domain in Complex with Inhibitor XAV939
  12. 4r5y (F: 6) - The Complex Structure of Braf V600E Kinase Domain with A Novel Braf Inhibitor
  13. 4r7h (F: 3) - Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX3397
    Other atoms: Cl (1);
  14. 4r84 (F: 4) - Crystal Structure of Sialyltransferase From Photobacterium Damsela with Cmp-3F(A)NEU5AC Bound
    Other atoms: Ca (4);
  15. 4r88 (F: 6) - Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Fluorocytosine
    Other atoms: Fe (6);
  16. 4ra4 (F: 1) - Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-Piperidin-4-Yl)-7-(2-Fluoro- Phenyl)-4-Methyl-2,10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One)
  17. 4rcd (F: 1) - Crystal Structure of BACE1 in Complex with A 2-Aminooxazoline 4- Azaxanthene Inhibitor
    Other atoms: I (3);
  18. 4rcf (F: 2) - Crystal Structure of BACE1 in Complex with 2-Aminooxazoline 4- Fluoroxanthene Inhibitor 49
    Other atoms: I (3);
  19. 4re9 (F: 2) - Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound 71290
    Other atoms: Zn (2);
  20. 4rfm (F: 2) - Itk Kinase Domain in Complex with Compound 1 N-{1-[(1,1-Dioxo-1-Thian- 2-Yl)(Phenyl)Methyl]-1H- Pyrazol-4-Yl}-5,5-Difluoro-5A-Methyl-1H,4H, 4AH,5H,5AH,6H-Cyclopropa[F]Indazole-3-Carboxamide
  21. 4rfz (F: 1) - Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One
  22. 4rg0 (F: 1) - Crystal Structure of Btk Kinase Domain Complexed with 2-[8-Fluoro-2- [2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(4-Methylpiperazin-1-Yl)-2- Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-1-Oxo-3,4-Dihydroisoquinolin- 6-Yl]-2-Methyl-Propanenitrile
  23. 4rio (F: 1) - Crystal Structure of JAK3 Kinase Domain in Complex with A Pyrrolopyridazine Carboxamide Inhibitor
  24. 4rjd (F: 12) - Tfp Bound in Alternate Orientations to Calcium-Saturated Calmodulin C- Domains
    Other atoms: Cl (2); Ca (4);
  25. 4rk8 (F: 2) - Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A356
  26. 4rlo (F: 1) - Human P70S6K1 with Ruthenium-Based Inhibitor EM5
    Other atoms: Ru (1); Cl (6);
  27. 4rlp (F: 1) - Human P70S6K1 with Ruthenium-Based Inhibitor FL772
    Other atoms: Ru (1); Cl (6);
  28. 4rm2 (F: 3) - Crystal Structure of A Benzoate Coenzyme A Ligase with 2-Fluoro Benzoic Acid
  29. 4rpk (F: 12) - Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galf
  30. 4rpl (F: 12) - Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
  31. 4rpv (F: 2) - Co-Crystal Structure of PIM1 with Compound 3
  32. 4rrn (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
    Other atoms: Ni (1);
  33. 4rro (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
    Other atoms: Ni (1);
  34. 4rrs (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
    Other atoms: Ni (1);
  35. 4rrw (F: 4) - Crystal Structure of Apo Murine Cyclooxygenase-2
    Other atoms: Cl (4);
  36. 4rrx (F: 2) - Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib
    Other atoms: Cl (2);
  37. 4rrz (F: 4) - Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Complexed with Lumiracoxib
    Other atoms: Cl (4);
  38. 4rup (F: 6) - Crystal Structure of Zvdr L337H Mutant-GEMINI72 Complex
  39. 4rv3 (F: 5) - Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus
  40. 4rv6 (F: 2) - Human ARTD1 (PARP1) Catalytic Domain in Complex with Inhibitor Rucaparib
Page generated: Fri May 13 23:03:22 2022

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