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Fluorine in PDB, part 79 (files: 3121-3160), PDB 4q0e-4qrc

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: 3121-3160 (PDB 4q0e-4qrc).
  1. 4q0e (F: 5) - Crystal Structure of Ts-Dhfr From Cryptosporidium Hominis in Complex with Nadph, Fdump and 2-Amino-4-Oxo-4,7-Dihydro-Pyrrolo[2,3- D]Pyrimidine-Methyl-Phenyl-L-Glutamic Acid.
  2. 4q0l (F: 15) - Crystal Structure of Catalytic Domain of Human Carbonic Anhydrase Isozyme XII with Inhibitor
    Other atoms: Zn (4);
  3. 4q1d (F: 2) - Human Dck C4S-S74E Mutant in Complex with Udp and the Inhibitor 9 {2- {[(1R)-1-{2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Propyl-1,3- Thiazol-4-Yl}Ethyl]Sulfanyl}Pyrimidine-4,6-Diamine}
  4. 4q1e (F: 4) - Human Dck C4S-S74E Mutant in Complex with Udp and the Inhibitor 10 {2- {[(1R/S)-1-{2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Methyl-1,3- Thiazol 4-Yl}Ethyl]Sulfanyl}Pyrimidine-4,6-Diamine}
  5. 4q3k (F: 2) - Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library
    Other atoms: Cl (2);
  6. 4q7b (F: 1) - Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A
  7. 4q83 (F: 3) - Crystal Structure of 1-Hydroxy-3-(Trifluoromethyl)Pyridine-2(1H)- Thione Bound to Human Carbonic Anhydrase II
    Other atoms: Hg (1); Zn (1);
  8. 4q87 (F: 3) - Crystal Structure of 1-Hydroxy-4-(Trifluoromethyl)Pyridine-2(1H)- Thione Bound to Human Carbonic Anhydrase II
    Other atoms: Hg (1); Zn (1);
  9. 4q8x (F: 6) - Crystal Structure of 1-Hydroxy-5-(Trifluoromethyl)Pyridine-2(1H)- Thione Bound to Human Carbonic Anhydrase II
    Other atoms: Hg (1); Zn (1);
  10. 4q9r (F: 5) - Crystal Structure of An Rna Aptamer Bound to Trifluoroethyl-Ligand Analog in Complex with Fab
    Other atoms: K (1);
  11. 4qab (F: 30) - X-Ray Structure of Acetylcholine Binding Protein (Achbp) in Complex with 4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)Phenyl]Pyrimidin-2- Amine
  12. 4qac (F: 30) - X-Ray Structure of Acetylcholine Binding Protein (Achbp) in Complex with 4-(4-Methylpiperidin-1-Yl)-6-(4-(Trifluoromethyl)Phenyl) Pyrimidin-2-Amine
  13. 4qbj (F: 3) - Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor
  14. 4qbx (F: 1) - Human Aldose Reductase Complexed with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid) at 0.98 A
  15. 4qga (F: 2) - S.Aureus Tmk in Complex with Potent Inhibitor Compound 19, 2-(3- Chlorophenoxy)-3-Fluoro-4-{[(3S)-3-(5-Methyl-2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Piperidin-1-Yl]Methyl}Benzoic Acid
    Other atoms: Cl (2);
  16. 4qgg (F: 2) - Tmk in Complex with Compound 46, 2-(3-Chlorophenoxy)-3-Fluoro-4-{(1R)- 3-Methyl-1-[(3S)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Piperidin-1-Yl]Butyl}Benzoic Acid
    Other atoms: Cl (2);
  17. 4qgh (F: 2) - S.Aureus Tmk in Complex with Potent Inhibitor Compound 47
    Other atoms: Cl (2);
  18. 4qin (F: 2) - Structure of the Human Smoothened Receptor in Complex with SAG1.5
    Other atoms: Cl (1);
  19. 4qiy (F: 12) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with Inhibitor
    Other atoms: Zn (4);
  20. 4qiz (F: 6) - Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with Inhibitor
    Other atoms: Zn (2);
  21. 4qj0 (F: 15) - Crystal Structure of Catalytic Domain of Human Carbonic Anhydrase Isozyme XII with Inhibitor
    Other atoms: Zn (4);
  22. 4qj3 (F: 4) - Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-559, in Complex with Galphaq
    Other atoms: Mg (1); Al (1); Ca (1);
  23. 4qj4 (F: 4) - Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq
    Other atoms: Mg (1); Al (1); Ca (1);
  24. 4qj5 (F: 4) - Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-581, Bound to IP3 and in Complex with Galphaq
    Other atoms: Mg (1); Al (1); Ca (1);
  25. 4qjc (F: 3) - Human Dihydrofolate Reductase Ternary Complex with Nadph and Inhibitor 26 (N~6~-Methyl-N~6~-(3,4,5-Trifluorophenyl)Pyrido[2,3-D]Pyrimidine- 2,4,6-Triamine)
  26. 4qjm (F: 3) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with Inhibitor
    Other atoms: Zn (1);
  27. 4qjo (F: 12) - Crystal Structure of Catalytic Domain of Human Carbonic Anhydrase Isozyme XII with Inhibitor
    Other atoms: Zn (4);
  28. 4qjp (F: 6) - Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with Inhibitor
    Other atoms: Zn (2);
  29. 4qjw (F: 15) - Crystal Structure of Catalytic Domain of Human Carbonic Anhydrase Isozyme XII with Inhibitor
    Other atoms: Zn (4);
  30. 4qjx (F: 3) - Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with Inhibitor
    Other atoms: Zn (1);
  31. 4ql1 (F: 6) - Crystal Structure of Human WDR5 in Complex with Compound Oicr-9429
  32. 4qmp (F: 2) - MST3 in Complex with CDK1/2 Inhibitor III, 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide
  33. 4qmu (F: 2) - MST3 in Complex with Jnj-7706621, 4-({5-Amino-1-[(2,6-Difluorophenyl) Carbonyl]-1H-1,2,4-Triazol-3-Yl}Amino)Benzenesulfonamide
    Other atoms: Mg (1);
  34. 4qmv (F: 3) - MST3 in Complex with Pf-03814735, N-{2-[(1S,4R)-6-{[4- (Cyclobutylamino)-5-(Trifluoromethyl)Pyrimidin-2-Yl]Amino}-1,2,3,4- Tetrahydro-1,4-Epiminonaphthalen-9-Yl]-2-Oxoethyl}Acetamide
  35. 4qmz (F: 1) - MST3 in Complex with Sunitinib
    Other atoms: Cl (2);
  36. 4qnq (F: 36) - Crystal Structure Analysis of Full-Length Bcl-Xl in Complex with the Inhibitor Abt-263
    Other atoms: Cl (12);
  37. 4qpf (F: 1) - New Lower Bone Affinity Bisphosphonate Drug Design For Effective Use in Diseases Characterized By Abnormal Bone Resorption
    Other atoms: Mg (3);
  38. 4qqe (F: 3) - Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345
    Other atoms: Cl (1);
  39. 4qr6 (F: 1) - Human Aldose Reductase Complexed with A Ligand with An Idd Structure (2-[2-(1,3-Benzothiazol-2-Ylmethylcarbamoyl)-5-Fluoro-Phenoxy]Acetic Acid) at 1.05 A
  40. 4qrc (F: 3) - Crystal Structure of the Tyrosine Kinase Domain of Fgf Receptor 4 in Complex with Ponatinib
Page generated: Fri May 13 23:03:05 2022

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