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Fluorine in PDB, part 209 (files: 8321-8360), PDB 7rmz-7ryb

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: 8321-8360 (PDB 7rmz-7ryb).
  1. 7rmz (F: 3) - Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63
    Other atoms: Cl (1);
  2. 7rn6 (F: 3) - High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to Type-II Inhibitor BBT594
  3. 7roj (F: 12) - Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation
    Other atoms: Na (1);
  4. 7ros (F: 4) - Plasmodium Falciparum Tyrosyl-Trna Synthetase in Complex with ML901- Tyr
    Other atoms: Mg (2); Cl (2);
  5. 7rot (F: 4) - Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr
    Other atoms: Cl (1); Mg (2);
  6. 7rou (F: 2) - Structure of Human Tyrosyl Trna Synthetase in Complex with ML901-Tyr
  7. 7rpz (F: 3) - Kras G12D in Complex with Mrtx-1133
    Other atoms: Mg (1);
  8. 7rrb (F: 2) - IDO1 in Complex with Compound 9
  9. 7rrc (F: 8) - IDO1 in Complex with Compound 14
  10. 7rrd (F: 2) - IDO1 in Complex with Compound S-1
  11. 7rrx (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-19
    Other atoms: Cl (2);
  12. 7rry (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-20
    Other atoms: Cl (2);
  13. 7rrz (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-30
  14. 7rs0 (F: 6) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-18
  15. 7rs1 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-21
  16. 7rs2 (F: 6) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-23
  17. 7rs3 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-29
  18. 7rs4 (F: 4) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-8
    Other atoms: Cl (6);
  19. 7rs7 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-30
  20. 7rs8 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-16
  21. 7rs9 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-25
  22. 7rt1 (F: 2) - Crystal Structure of Kras G12D with Compound 15 (4-(4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-8-Fluoro-2-{[(2S)-1-Methylpyrrolidin- 2-Yl]Methoxy}Pyrido[4,3-D]Pyrimidin-7-Yl)Naphthalen-2-Ol) Bound
    Other atoms: Mg (1);
  23. 7rt2 (F: 2) - Crystal Structure of Kras G12D with Compound 25 (4-(4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-8-Fluoro-2-{[(2R,4R,7AS)-2- Fluorotetrahydro-1H-Pyrrolizin-7A(5H)-Yl]Methoxy}Pyrido[4,3- D]Pyrimidin-7-Yl)Naphthalen-2-Ol) Bound
    Other atoms: Mg (1);
  24. 7rt3 (F: 2) - Crystal Structure of Kras G12D with Compound 24 (4-(4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-8-Fluoro-2-{[(2S,4S,7AR)-2- Fluorotetrahydro-1H-Pyrrolizin-7A(5H)-Yl]Methoxy}Pyrido[4,3- D]Pyrimidin-7-Yl)Naphthalen-2-Ol) Bound
    Other atoms: Mg (1);
  25. 7rt4 (F: 1) - Kras G12D in Complex with Compound 5B (7-(8-Chloronaphthalen-1-Yl)-8- Fluoro-2-{[(2S)-1-Methylpyrrolidin-2-Yl]Methoxy}-4-(Piperazin-1-Yl) Pyrido[4,3-D]Pyrimidine)
    Other atoms: Mg (1); Cl (1);
  26. 7rt5 (F: 2) - Crystal Structure of Kras G12D with Compound 36 (4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-7-(8-Ethynyl-7-Fluoronaphthalen-1-Yl)- 8-Fluoro-2-{[(4S,7AS)-Tetrahydro-1H-Pyrrolizin-7A(5H)- Yl]Methoxy}Pyrido[4,3-D]Pyrimidine) Bound
    Other atoms: Mg (1);
  27. 7rtq (F: 24) - Sterol 14ALPHA Demethylase (CYP51) From Naegleria Fowleri in Complex with An Inhibitor R)-N-(1-(3,4'-Difluorobiphenyl-4-Yl)-2-(1H- Imidazol-1-Yl)Ethyl)-4-(5-Phenyl-1,3,4-Oxadiazol-2-Yl)Benzamide
    Other atoms: Fe (4);
  28. 7rud (F: 9) - Dahp Synthase Complex with Trifluoropyruvate Oxime
  29. 7rue (F: 12) - Dahp Synthase Complexed with Trifluoropyruvate Semicarbazone
    Other atoms: Mn (4);
  30. 7ruh (F: 4) - Bromodomain-Containing Protein 4 (BRD4) Bromodomain 2 (BD2) Complexed with XR844
  31. 7rui (F: 4) - Bromodomain-Containing Protein 4 (BRD4) Bromodomain 1 (BD1) Complexed with XR844
  32. 7rv0 (F: 1) - Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8446
    Other atoms: Cl (2);
  33. 7rw5 (F: 1) - Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 1
  34. 7rwg (F: 3) - "Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-43192
    Other atoms: Cl (2);
  35. 7rwh (F: 3) - Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
    Other atoms: Cl (1); Mg (3); Br (1);
  36. 7rxv (F: 3) - Human Methionine Adenosyltransferase 2A Bound to Methylthioadenosine, Malonate (Mla) and MGF3
    Other atoms: K (1); Na (2); Mg (2);
  37. 7ry3 (F: 3) - Multidrug Efflux Pump Adej with Tp-6076 Bound
  38. 7ry8 (F: 3) - S. Cerevisiae CYP51 Y140H Mutant Complexed with Voriconazole
    Other atoms: Fe (1);
  39. 7ry9 (F: 3) - S. Cerevisiae CYP51 I471T Mutant Complexed with Voriconazole
    Other atoms: Fe (1);
  40. 7ryb (F: 3) - S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole
    Other atoms: Fe (1);
Page generated: Tue Jul 15 23:46:00 2025

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