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Fluorine in PDB, part 136 (files: 5401-5440), PDB 6dw5-6eda

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: 5401-5440 (PDB 6dw5-6eda).
  1. 6dw5 (F: 8) - SAMHD1 Bound to Gemcitabine-Tp in the Catalytic Pocket
    Other atoms: Ni (1); Mg (10); Na (4);
  2. 6dwd (F: 8) - SAMHD1 Bound to Clofarabine-Tp in the Catalytic Pocket and Allosteric Pocket
    Other atoms: Mg (10); Na (23);
  3. 6dwe (F: 12) - Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form
    Other atoms: Cs (9);
  4. 6dwk (F: 4) - SAMHD1 Bound to Fludarabine-Tp in the Catalytic Pocket
    Other atoms: Mg (9); Na (23);
  5. 6dxx (F: 3) - Human N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) in Complex with Non-Covalent Benzothiazole-Piperazine Inhibitor ARN19702, in Presence of Triton X-100
    Other atoms: Cl (12);
  6. 6dxz (F: 1) - Rabbit N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) in Complex with Non-Covalent Benzothiazole-Piperazine Inhibitor ARN19702, in Presence of Triton X-100
    Other atoms: K (1);
  7. 6dz5 (F: 2) - Citrobacter Freundii Tyrosine Phenol-Lyase F448A Mutant Complexed with L-Alanine
    Other atoms: K (2);
  8. 6dzo (F: 3) - Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and [3-Hydroxy-2-Methyl-5-Phosphonooxymethyl- Pyridin-4-Ylmethyl]-Serine (Pls) at the Beta-Site.
    Other atoms: Cs (4); Cl (13);
  9. 6dzw (F: 1) - Cryo-Em Structure of the TS2-Inactive Human Serotonin Transporter in Complex with Paroxetine and 15B8 Fab and 8B6 Scfv
  10. 6e0r (F: 1) - Halk in Complex with Compound 7 N-((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)-1-(5-Methyl-1H-Pyrazol-3-Yl)-3-(Oxetan-3-Ylsulfonyl)-1H- Pyrrolo[2,3-B]Pyridin-6-Amine
  11. 6e22 (F: 2) - Displacement of WDR5 From Chromatin By A Pharmacological Win Site Inhibitor with Picomolar Affinity
  12. 6e23 (F: 2) - Displacement of WDR5 From Chromatin By A Pharmacological Win Site Inhibitor with Picomolar Affinity
    Other atoms: Cl (4);
  13. 6e2v (F: 3) - Mddef in Complex with Mvapp, ADPBEF3 and Magnesium
    Other atoms: Mg (2);
  14. 6e3e (F: 2) - Structure of Rorgt in Complex with A Novel Inverse Agonist.
  15. 6e3s (F: 3) - Crystal Structure of the Heterodimeric Hif-2 Complex with Antagonist PT2385
  16. 6e3z (F: 16) - Structure of Bace-1 in Complex with Ligand 8
    Other atoms: Cl (8);
  17. 6e40 (F: 3) - Crystal Structure of the Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complexed with Ferric Heme and Epacadostat
    Other atoms: Br (3); Fe (4);
  18. 6e41 (F: 6) - Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and An Epacadostat Analog
    Other atoms: Br (6); Fe (4);
  19. 6e4w (F: 2) - Structure of Ampk Bound to Activator
    Other atoms: Cl (3);
  20. 6e54 (F: 2) - Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Ligand PT802
    Other atoms: Zn (1); Ca (2); Cl (2);
  21. 6e59 (F: 7) - Crystal Structure of the Human NK1 Tachykinin Receptor
  22. 6e5g (F: 6) - Crystal Structure of Human TEAD2-Yap Binding Domain Covalently Bound to An Allosteric Regulator
  23. 6e69 (F: 4) - Ortho-Substituted Phenyl Sulfonyl Fluoride and Fluorosulfate As Potent Elastase Inhibitory Fragments
  24. 6e6j (F: 6) - BRD2_BROMODOMAIN2 Complex with Inhibitor 744
  25. 6e70 (F: 4) - Structure of Wild Type Human Transthyretin in Complex with Diflunisal
    Other atoms: Ca (2);
  26. 6e73 (F: 4) - Structure of Human Transthyretin VAL30MET Mutant in Complex with Diflunisal
  27. 6e78 (F: 4) - Structure of Human Transthyretin ASP38ALA Mutant in Complex with Diflunisal
  28. 6e8q (F: 2) - S. Cerevisiae CYP51 Complexed with Posaconazole
    Other atoms: Fe (1);
  29. 6e9p (F: 12) - Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Open Form with BRD0059 Bound
  30. 6ea1 (F: 7) - X-Ray Crystal Structure of Pf-M1 in Complex with Inhibitor (6DA) and Catalytic Zinc Ion
    Other atoms: Mg (4); Zn (1);
  31. 6ea2 (F: 3) - X-Ray Crystal Structure of Pf-M1 in Complex with Inhibitor (6H) and Catalytic Zinc Ion
    Other atoms: Mg (4); Zn (1);
  32. 6ea4 (F: 6) - ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor
    Other atoms: Zn (2);
  33. 6eaa (F: 3) - X-Ray Crystal Structure of Pf-M1 in Complex with Inhibitor (6I) and Catalytic Zinc Ion
    Other atoms: Mg (3); Zn (1);
  34. 6eab (F: 3) - X-Ray Crystal Structure of Pf-M1 in Complex with Inhibitor (6J) and Catalytic Zinc Ion
    Other atoms: Mg (4); Zn (1);
  35. 6eb7 (F: 3) - Yycf Homologue (SP1227) Receiver Domain Activated By BEF3
    Other atoms: Mn (1);
  36. 6ebe (F: 3) - Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines.
    Other atoms: Zn (1);
  37. 6ebr (F: 3) - Activation of RR02 Bound to BEF3
    Other atoms: Mn (1);
  38. 6ebw (F: 1) - Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)Methanone
  39. 6ecz (F: 5) - Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines.
    Other atoms: Zn (1);
  40. 6eda (F: 3) - Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines.
    Other atoms: Zn (1);
Page generated: Fri May 13 23:18:33 2022

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