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Fluorine in PDB, part 104 (files: 4121-4160), PDB 5knj-5laz

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: 4121-4160 (PDB 5knj-5laz).
  1. 5knj (F: 6) - Pseudokinase Domain of Mlkl Bound to Compound 1.
  2. 5ko1 (F: 1) - Pseudokinase Domain of Mlkl Bound to Compound 4.
  3. 5kom (F: 2) - The Crystal Structure of Fluoride Channel Fluc EC2 F83I Mutant
    Other atoms: Na (1);
  4. 5kpn (F: 2) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
  5. 5kpo (F: 2) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
  6. 5kpp (F: 8) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
  7. 5kpq (F: 2) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
  8. 5kqf (F: 2) - (4~{S},6~{S})-4-[2,4-Bis(Fluoranyl)Phenyl]-4-Methyl-6-Pyrimidin-5-Yl- 5,6-Dihydro-1,3-Thiazin-2-Amine (Compound 12) Bound to BACE1
  9. 5kr8 (F: 2) - (4~{S},6~{S})-4-[2,4-Bis(Fluoranyl)Phenyl]-6-(3,5-Dimethyl-1,2-Oxazol- 4-Yl)-4-Methyl-5,6-Dihydro-1,3-Thiazin-2-Amine (Compound 5) Bound to BACE1
    Other atoms: I (1);
  10. 5krf (F: 6) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with the Dynamic Way Derivative, 1A
  11. 5krm (F: 4) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with the A-Cd Ring Estrogen, (1S,7AS)-5-(2,5-Difluoro-4- Hydroxyphenyl)-7A-Methyl-2,3,3A,4,7,7A-Hexahydro-1H-Inden-1-Ol
  12. 5ktx (F: 1) - Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
  13. 5ku3 (F: 1) - BRD4 Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
  14. 5kuh (F: 8) - GLUK2EM with LY466195
  15. 5kup (F: 1) - Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9
  16. 5kvt (F: 2) - The Structure of Trka Kinase Domain Bound to the Inhibitor Entrectinib
  17. 5kww (F: 3) - Crystal Structure of Inhibitor Jnj-53718678 in Complex with Prefusion Rsv F Glycoprotein
    Other atoms: Cl (1);
  18. 5kxa (F: 2) - Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis
    Other atoms: Zn (2); Ca (1); Cl (1);
  19. 5kya (F: 6) - Brain Penetrant Liver X Receptor (Lxr) Modulators Based on A 2,4,5,6- Tetrahydropyrrolo[3,4-C]Pyrazole Core
  20. 5kyj (F: 2) - Brain Penetrant Liver X Receptor (Lxr) Modulators Based on A 2,4,5,6- Tetrahydropyrrolo[3,4-C]Pyrazole Core
  21. 5kz0 (F: 1) - Structure of Human Anaplastic Lymphoma Kinase in Complex with 2-[(1R)- 1-{[2-Amino-5-(1,3-Dimethyl-1H-Pyrazol-4-Yl)Pyridin-3-Yl]Oxy}Ethyl]- 4-Fluoro-N,N-Dimethylbenzamide
  22. 5kz7 (F: 2) - MARK2 Complex with 7-[(1S)-1-(4-Fluorophenyl)Ethyl]-5,5-Dimethyl-2-(3- Pyridylamino)Pyrrolo[2,3-D]Pyrimidin-6-One
  23. 5kzi (F: 2) - Crystal Structure of Human Pim-1 Kinase in Complex with An Imidazopyridazine Inhibitor.
  24. 5kzq (F: 2) - Metabotropic Glutamate Receptor in Complex with Antagonist (1~{S}, 2~{R},3~{S},4~{S},5~{R},6~{R})-2-Azanyl-3-[[3,4-Bis(Fluoranyl) Phenyl]Sulfanylmethyl]-4-Oxidanyl-Bicyclo[3.1.0]Hexane-2,6- Dicarboxylic Acid
  25. 5l01 (F: 3) - Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid
    Other atoms: Fe (1); Cl (1);
  26. 5l0v (F: 1) - Human POGLUT1 in Complex with 2F-Glucose Modified Egf(+) and Udp
    Other atoms: Ca (1);
  27. 5l1e (F: 4) - Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022
    Other atoms: Cl (4);
  28. 5l2s (F: 2) - The X-Ray Co-Crystal Structure of Human CDK6 and Abemaciclib.
  29. 5l2y (F: 1) - Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid
    Other atoms: Ca (1);
  30. 5l2z (F: 1) - Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid
    Other atoms: Ca (1);
  31. 5l4u (F: 2) - Crystal Structure of Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside
  32. 5l4w (F: 3) - Crystal Structure of Fimh Lectin Domain in Complex with 3-Fluoro- Heptylmannoside
  33. 5l4y (F: 2) - Crystal Structure of Fimh Lectin Domain in Complex with 4-Fluoro- Heptylmannoside
  34. 5l6j (F: 6) - UBA1 in Complex with Ub-MLN7243 Covalent Adduct
    Other atoms: Cl (4);
  35. 5l7g (F: 2) - Mcr in Complex with Ligand
  36. 5l7t (F: 1) - 17BETA-Hydroxysteroid Dehydrogenase 14 Variant T205 in Complex with A Non-Steroidal Inhibitor.
    Other atoms: Na (1);
  37. 5l7w (F: 2) - 17BETA-Hydroxysteroid Dehydrogenase 14 Variant T205 in Complex with A Non-Steroidal Inhibitor.
    Other atoms: Na (1);
  38. 5l7y (F: 4) - 17BETA-Hydroxysteroid Dehydrogenase 14 Variant T205 in Complex with A Non-Steroidal Inhibitor.
    Other atoms: Na (1);
  39. 5lay (F: 6) - Discovery of New Natural-Product-Inspired Spiro-Oxindole Compounds As Orally Active Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound 6G
    Other atoms: Cl (12);
  40. 5laz (F: 1) - Novel Spiro[3H-Indole-3,2 -Pyrrolidin]-2(1H)-One Inhibitors of the MDM2-P53 Interaction: HDM2 (MDM2) in Complex with Compound Bi-0252
    Other atoms: Cl (2); Zn (1);
Page generated: Fri May 13 23:09:52 2022

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