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Fluorine in PDB, part 40 (files: 1561-1600), PDB 3jx3-3kql

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: 1561-1600 (PDB 3jx3-3kql).
  1. 3jx3 (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with N1-{(3'R,4'R)-4'-[(6"-Amino-4"- Methylpyridin-2"-Yl)Methyl]Pyrrolidin-3'-Yl}-N2-(3'-Fluorophenethyl) Ethane-1,2-Diamine
    Other atoms: Fe (2); Zn (1);
  2. 3jx4 (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with N1-{(3'R,4'S)-4'-[(6"-Amino-4"- Methylpyridin-2"-Yl)Methyl]Pyrrolidin-3'-Yl}-N2-(3'-Fluorophenethyl) Ethane-1,2-Diamine
    Other atoms: Fe (2); Zn (1);
  3. 3jx5 (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with N1-{(3'S,4'R)-4'-[(6"-Amino-4"- Methylpyridin-2"-Yl)Methyl]Pyrrolidin-3'-Yl}-N2-(3'-Fluorophenethyl) Ethane-1,2-Diamine
    Other atoms: Fe (2); Zn (1);
  4. 3jx6 (F: 2) - Structure of Neuronal Nitric Oxide Synthase D597N/M336V/Y706A Mutant Heme Domain Complexed with N1-[(3' R,4' R)-4'-((6"-Amino-4"- Methylpyridin-2"-Yl)Methyl)Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl) Ethane-1,2-Diamine Tetrahydrochloride
    Other atoms: Fe (2); Zn (1);
  5. 3jxq (F: 4) - X-Ray Structure of R[Cgcg(5-Fluoro)Cg]2
    Other atoms: Mg (4);
  6. 3jxr (F: 3) - X-Ray Structure of R[Cgcg(5-Fluoro)Cg]2
  7. 3k1o (F: 2) - Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Trypanosoma Cruzi in Complex with A Potential Antichagasic Drug, Posaconazole
    Other atoms: Fe (1);
  8. 3k1w (F: 2) - New Classes of Potent and Bioavailable Human Renin Inhibitors
    Other atoms: Br (2); Cl (3);
  9. 3k22 (F: 12) - Glucocorticoid Receptor with Bound Alaninamide 10 with TIF2 Peptide
  10. 3k23 (F: 12) - Glucocorticoid Receptor with Bound D-Prolinamide 11
  11. 3k3e (F: 6) - Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)-BAY73-6691
    Other atoms: Mg (2); Zn (2); Cl (2);
  12. 3k3h (F: 6) - Crystal Structure of the PDE9A Catalytic Domain in Complex with (S)-BAY73-6691
    Other atoms: Mg (2); Zn (2); Cl (2);
  13. 3k3i (F: 4) - P38ALPHA Bound to Novel Dgf-Out Compound Pf-00215955
    Other atoms: Br (1);
  14. 3k3j (F: 6) - P38ALPHA Bound to Novel Dfg-Out Compound Pf-00416121
  15. 3k4l (F: 2) - Pyranose 2-Oxidase F454N Mutant in Complex with 2FG
  16. 3k4m (F: 8) - Pyranose 2-Oxidase Y456W Mutant in Complex with 2FG
  17. 3k5v (F: 6) - Structure of Abl Kinase in Complex with Imatinib and Gnf-2
    Other atoms: Cl (1);
  18. 3k6p (F: 3) - Estrogen Related Receptor Alpha in Complex with An Ether Based Ligand
  19. 3k8s (F: 9) - Crystal Structure of Pparg in Complex with T2384
    Other atoms: Cl (9);
  20. 3k9f (F: 2) - Detailed Structural Insight Into the Quinolone-Dna Cleavage Complex of Type Iia Topoisomerases
    Other atoms: Mg (2);
  21. 3kdd (F: 4) - Crystal Structure of Hiv-1 Protease (Q7K, L33I, L63I) in Complex with Kni-10265
  22. 3kdp (F: 8) - Crystal Structure of the Sodium-Potassium Pump
    Other atoms: Rb (6); Mg (4);
  23. 3kej (F: 2) - Crystal Structure of Human Mmp-13 Complexed with A (Pyridin-4-Yl)-2H- Tetrazole Compound
    Other atoms: Ca (6); Zn (4);
  24. 3kek (F: 2) - Crystal Structure of Human Mmp-13 Complexed with A (Pyridin-4-Yl)-2H- Tetrazole Compound
    Other atoms: Ca (6); Zn (4);
  25. 3kf7 (F: 2) - Crystal Structure of Human P38ALPHA Complexed with A Triazolopyrimidine Compound
  26. 3kfa (F: 6) - Structural Analysis of Dfg-in and Dfg-Out Dual Src-Abl Inhibitors Sharing A Common Vinyl Purine Template
  27. 3kfc (F: 9) - Complex Structure of Lxr with An Agonist
  28. 3kg2 (F: 12) - Ampa Subtype Ionotropic Glutamate Receptor in Complex with Competitive Antagonist Zk 200775
  29. 3kgc (F: 3) - Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775
  30. 3khm (F: 2) - Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole
    Other atoms: Fe (1);
  31. 3ki6 (F: 1) - Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L
  32. 3kk1 (F: 1) - Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site
    Other atoms: Mg (2);
  33. 3kk3 (F: 1) - Hiv-1 Reverse Transcriptase-Dna Complex with Gs-9148 Terminated Primer
    Other atoms: Mg (1);
  34. 3kk6 (F: 6) - Crystal Structure of Cyclooxygenase-1 in Complex with Celecoxib
    Other atoms: Fe (2);
  35. 3ko0 (F: 120) - Structure of the Tfp-CA2+-Bound Activated Form of the S100A4 Metastasis Factor
    Other atoms: Ca (40);
  36. 3kou (F: 2) - Structural Insights Into the Catalytic Mechanism of CD38: Evidence For A Conformationally Flexible Covalent Enzyme-Substrate Complex.
  37. 3kqb (F: 4) - Factor Xa in Complex with the Inhibitor N-(3-Fluoro-2'- (Methylsulfonyl)Biphenyl-4-Yl)-1-(3-(5-Oxo-4,5-Dihydro-1H- 1,2,4- Triazol-3-Yl)Phenyl)-3-(Trifluoromethyl)-1H- Pyrazole-5-Carboxamide
    Other atoms: Na (2);
  38. 3kqc (F: 3) - Factor Xa in Complex with the Inhibitor 6-(2'- (Methylsulfonyl) Biphenyl-4-Yl)-1-(3-(5-Oxo-4,5-Dihydro-1H- 1,2,4-Triazol-3-Yl) Phenyl)-3-(Trifluoromethyl)-5,6- Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One
    Other atoms: Na (2);
  39. 3kqd (F: 3) - Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- One
    Other atoms: Na (2);
  40. 3kql (F: 8) - Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism
    Other atoms: Mg (2); Al (2);
Page generated: Wed Nov 4 04:18:13 2020

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