Fluorine in PDB, part 124 (files: 4921-4960),
PDB 5tw3-5ug8
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: 4921-4960 (PDB 5tw3-5ug8).
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5tw3 (F: 2) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5-(2- (2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy)-4-Fluorophenoxy)- 7-Fluoro-2-Naphthonitrile (JLJ636), A Non-Nucleoside Inhibitor
Other atoms:
Mg (1);
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5twm (F: 1) - Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 L30S NS5B Rna-Dependent Rna Polymerase in Complex with 5-[3-(Tert- Butylcarbamoyl)Phenyl]-6-(Ethylamino)-2-(4-Fluorophenyl)-N- Methylfuro[2,3-B]Pyridine-3-Carboxamide
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5twn (F: 1) - Crystal Structure of the Hepatitis C Virus NS5B Rna- Dependent Rna Polymerase in Complex with 5-[3-(Tert-Butylcarbamoyl)Phenyl]-6- (Ethylamino)-2-(4-Fluorophenyl)-N-Methylfuro[2,3-B]Pyridine-3- Carboxamide
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5two (F: 1) - Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51
Other atoms:
Cl (1);
-
5tyk (F: 1) - Alpha-Esterase-7 in Complex with 3-Chloro-4-[(2-Fluorophenyl) Methoxy]Phenylborinic Acid
Other atoms:
Cl (1);
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5tys (F: 4) - X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-142
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5tz1 (F: 14) - Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1)
Other atoms:
Fe (2);
-
5tzc (F: 12) - Crystal Structure of Human PDE2A in Complex with (5S)-1-[(3-Bromo-4- Fluorophenyl)Carbonyl]-3,3-Difluoro-5-{5-Methyl-[1,2,4]Triazolo[1,5- A]Pyrimidin-7-Yl}Piperidine
Other atoms:
Mg (4);
Zn (4);
Br (4);
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5tzh (F: 12) - Crystal Structure of Human Phosphodiesterase 2A in Complex with 3,3- Difluoro-1-[(4-Fluorophenyl)Carbonyl]-5-{5-Methyl-[1,2,4]Triazolo[1, 5-A]Pyrimidin-7-Yl}Piperidine
Other atoms:
Mg (4);
Zn (4);
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5tzw (F: 20) - Crystal Structure of Human Phosphodiesterase 2A in Complex with 1-[(3, 4-Difluorophenyl)Carbonyl]-3,3-Difluoro-5-{5-Methyl-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-Yl}Piperidine
Other atoms:
Mg (4);
Zn (4);
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5tzx (F: 12) - Crystal Structure of Human Phosphodiesterase 2A in Complex with 1-[(3- Chloro-4-Fluorophenyl)Carbonyl]-3,3-Difluoro-5-{5-Methyl-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-Yl}Piperidine
Other atoms:
Mg (4);
Zn (4);
Cl (4);
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5tzy (F: 4) - GPR40 in Complex with Agopam AP8 and Partial Agonist Mk-8666
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5tzz (F: 12) - Crystal Structure of Human Phosphodiesterase 2A in Complex with 1-[(3- Bromo-4-Fluorophenyl)Carbonyl]-3,3-Difluoro-5-{5-Methyl-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-Yl}Piperidine
Other atoms:
Mg (4);
Zn (4);
Br (4);
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5u00 (F: 12) - Crystal Structure of Human Phosphodiesterase 2A in Complex with 3,3- Difluoro-1-[(4-Fluoro-3-Iodophenyl)Carbonyl]-5-{5-Methyl-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-Yl}Piperidine
Other atoms:
Mg (4);
Zn (4);
I (4);
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5u09 (F: 3) - High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor
Other atoms:
Cl (1);
-
5u12 (F: 2) - E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-Azanyl-8-[(2-Fluorophenyl)Methylsulfanyl]-1,9- Dihydropurin-6-One
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5u1y (F: 2) - Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343
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5u2t (F: 1) - Pre-Catalytic Ternary Complex of Human Dna Polymerase Beta with Gapped Dna Substrate Incoming (-)Ftc-Tp and CA2+.
Other atoms:
Ca (1);
Na (5);
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5u44 (F: 2) - Human Ppardelta Ligand-Binding Domain in Complexed with Specific Agonist 13
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5u45 (F: 2) - Human Ppardelta Ligand-Binding Domain in Complexed with Specific Agonist 14
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5u46 (F: 6) - Human Ppardelta Ligand-Binding Domain in Complexed with GW501516
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5u5h (F: 1) - Crystal Structure of Eed in Complex with 6-(2-Fluoro-5-Methoxybenzyl)- 1-Isopropyl-5,6,7,8-Tetrahydroimidazo[1,5-A]Pyridin-3-Amine 6-(2- Fluoro-5-Methoxybenzyl)-1-Isopropyl-5,6,7,8-Tetrahydroimidazo[1,5- A]Pyridin-3-Amine
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5u6b (F: 4) - Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor
Other atoms:
Cl (4);
-
5u6c (F: 2) - Crystal Structure of the Mer Kinase Domain in Complex with A Macrocyclic Inhibitor
Other atoms:
Cl (2);
-
5u6d (F: 1) - Polycomb Protein Eed in Complex with Inhibitor: 2-[4-(4-{(3S,4R)-4- (Dimethylamino)-1-[(2-Fluoro-6-Methylphenyl)Methyl]Pyrrolidin-3- Yl}Phenyl)-1H-Pyrazol-1-Yl]Acetamide
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5u6e (F: 2) - Crystal Structure of Clade A/E Hiv-1 GP120 Core in Complex with Nbd- 14010
Other atoms:
Cl (2);
-
5u7r (F: 4) - Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
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5u86 (F: 4) - Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex
Other atoms:
Cl (1);
Zn (1);
-
5u8a (F: 1) - Polycomb Protein Eed in Complex with Inhibitor: (3R,4S)-1-[(2-Bromo-6- Fluorophenyl)Methyl]-N,N-Dimethyl-4-(1-Methyl-1H-Indol-3-Yl) Pyrrolidin-3-Amine
Other atoms:
Br (1);
-
5u8f (F: 1) - Polycomb Protein Eed in Complex with Inhibitor: (3R,4S)-1-[(1S)-7- Fluoro-2,3-Dihydro-1H-Inden-1-Yl]-N,N-Dimethyl-4-(1-Methyl-1H-Indol- 3-Yl)Pyrrolidin-3-Amine
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5u8z (F: 4) - Structure of Fe-CAO1 in Complex with Beta-Fluororesveratrol
Other atoms:
Fe (4);
Cl (4);
-
5ucj (F: 4) - HSP90B N-Terminal Domain with Inhibitors
-
5ueo (F: 4) - BRD4_BD2_A-1395017
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5uex (F: 2) - BRD4_BD2_A-1497627
-
5uey (F: 2) - BRD4_BD2_A-1412838
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5ufo (F: 3) - Structure of Rorgt Bound to
Other atoms:
Cl (1);
-
5ufp (F: 5) - Crystal Structure of PT2399 Bound to HIF2A-B*:Arnt-B* Complex
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5ufs (F: 2) - X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 Ligand Binding Domain in Complex with Triamcinolone Acetonide and Shp Coregulator Fragment
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5ug2 (F: 1) - Ccp Gateless Cavity
Other atoms:
Fe (1);
-
5ug8 (F: 1) - Crystal Structure of the Egfr Kinase Domain (L858R, T790M, V948R) in Complex with A Covalent Inhibitor N-[(3R,4R)-4-Fluoro-1-{6-[(1- Methyl-1H-Pyrazol-4-Yl)Amino]-9-(Propan-2-Yl)-9H-Purin-2- Yl}Pyrrolidin-3-Yl]Propanamide
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