Fluorine in PDB, part 104 (files: 4121-4160),
PDB 5ko1-5lca
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 5ko1-5lca).
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5ko1 (F: 1) - Pseudokinase Domain of Mlkl Bound to Compound 4.
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5kom (F: 2) - The Crystal Structure of Fluoride Channel Fluc EC2 F83I Mutant
Other atoms:
Na (1);
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5kpn (F: 2) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
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5kpo (F: 2) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
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5kpp (F: 8) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
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5kpq (F: 2) - Structure of Human PARP1 Catalytic Domain Bound to A Quinazoline-2, 4(1H,3H)-Dione Inhibitor
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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
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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);
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5krf (F: 6) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with the Dynamic Way Derivative, 1A
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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
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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)
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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)
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5kuh (F: 8) - GLUK2EM with LY466195
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5kup (F: 1) - Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9
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5kvt (F: 2) - The Structure of Trka Kinase Domain Bound to the Inhibitor Entrectinib
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5kww (F: 3) - Crystal Structure of Inhibitor Jnj-53718678 in Complex with Prefusion Rsv F Glycoprotein
Other atoms:
Cl (1);
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5kxa (F: 2) - Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis
Other atoms:
Zn (2);
Ca (1);
Cl (1);
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5kya (F: 6) - Brain Penetrant Liver X Receptor (Lxr) Modulators Based on A 2,4,5,6- Tetrahydropyrrolo[3,4-C]Pyrazole Core
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5kyj (F: 2) - Brain Penetrant Liver X Receptor (Lxr) Modulators Based on A 2,4,5,6- Tetrahydropyrrolo[3,4-C]Pyrazole Core
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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
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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
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5kzi (F: 2) - Crystal Structure of Human Pim-1 Kinase in Complex with An Imidazopyridazine Inhibitor.
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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
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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);
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5l0v (F: 1) - Human POGLUT1 in Complex with 2F-Glucose Modified Egf(+) and Udp
Other atoms:
Ca (1);
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5l1e (F: 4) - Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022
Other atoms:
Cl (4);
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5l2s (F: 2) - The X-Ray Co-Crystal Structure of Human CDK6 and Abemaciclib.
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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);
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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);
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5l4u (F: 2) - Crystal Structure of Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside
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5l4w (F: 3) - Crystal Structure of Fimh Lectin Domain in Complex with 3-Fluoro- Heptylmannoside
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5l4y (F: 2) - Crystal Structure of Fimh Lectin Domain in Complex with 4-Fluoro- Heptylmannoside
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5l6j (F: 6) - UBA1 in Complex with Ub-MLN7243 Covalent Adduct
Other atoms:
Cl (4);
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5l7g (F: 2) - Mcr in Complex with Ligand
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5l7t (F: 1) - 17BETA-Hydroxysteroid Dehydrogenase 14 Variant T205 in Complex with A Non-Steroidal Inhibitor.
Other atoms:
Na (1);
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5l7w (F: 2) - 17BETA-Hydroxysteroid Dehydrogenase 14 Variant T205 in Complex with A Non-Steroidal Inhibitor.
Other atoms:
Na (1);
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5l7y (F: 4) - 17BETA-Hydroxysteroid Dehydrogenase 14 Variant T205 in Complex with A Non-Steroidal Inhibitor.
Other atoms:
Na (1);
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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);
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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);
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5lca (F: 3) - Vim-2 Metallo-Beta-Lactamase in Complex with 3-Oxo-2-(3- (Trifluoromethyl)Phenyl)Isoindoline-4-Carboxylic Acid (Compound 17)
Other atoms:
Zn (2);
Page generated: Thu Dec 28 04:06:26 2023
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