Fluorine in PDB, part 136 (files: 5401-5440),
PDB 6c0u-6cr2
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 6c0u-6cr2).
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6c0u (F: 1) - Crystal Structure of Camp-Dependent Protein Kinase Calpha Subunit Bound with N46
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6c1r (F: 4) - Crystal Structure of Human C5A Receptor in Complex with An Orthosteric Antagonist PMX53 and An Allosteric Antagonist Avacopan
Other atoms:
Na (1);
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6c2i (F: 1) - Structure of Bace-1 (Beta-Secretase) in Complex with : N-(3-((1R,5S, 6R)-3-Amino-5-Methyl-2-Oxa-4-Azabicyclo[4.1.0]Hept-3-En-5-Yl)-4- Fluorophenyl)-5-Methoxypyrazine-2-Carboxamide
Other atoms:
I (3);
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6c2n (F: 1) - Crystal Structure of Hcv NS3/4A Double Mutant Variant Y56H/D168A in Complex with Danoprevir
Other atoms:
Zn (1);
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6c2o (F: 2) - Crystal Structure of Hcv NS3/4A Protease Variant Y56H in Complex with Danoprevir
Other atoms:
Zn (1);
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6c2r (F: 2) - Aurora A Ligand Complex
Other atoms:
Cl (1);
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6c2t (F: 1) - Aurora A Ligand Complex
Other atoms:
Cl (1);
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6c2y (F: 1) - Human GRK2 in Complex with Gbetagamma Subunits and CCG257142
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6c3f (F: 3) - Amyloid Forming Peptide Iykvei From Transthyretin
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6c57 (F: 1) - Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109
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6c73 (F: 3) - Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site
Other atoms:
Cs (5);
Cl (1);
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6c8p (F: 1) - Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-F-Phenyldiketoacid
Other atoms:
Mg (3);
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6c98 (F: 2) - Crystal Structure of Fcrn Bound to Ucb-84
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6c99 (F: 4) - Crystal Structure of Fcrn Bound to Ucb-303
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6cad (F: 6) - Crystal Structure of Raf Kinase Domain Bound to the Inhibitor 2A
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6cbh (F: 1) - Macrophage Migration Inhibitory Factor in Complex with A Pyrazole Inhibitor (8M)
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6ccs (F: 6) - Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 2-(Trifluoromethyl)-1H-Benzo[D]Imidazol- 4-Ol
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6ccy (F: 4) - Crystal Structure of AKT1 in Complex with A Selective Inhibitor
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6cdj (F: 4) - Hiv-1 Wild Type Protease with Grl-03314A, 6-5-5-Ring Fused Umbrella- Like Tetrahydropyranofuran As the P2-Ligand, A Cyclopropylaminobenzothiazole As the P2'-Ligand and 3,5- Difluorophenylmethyl As the P1-Ligand
Other atoms:
Cl (3);
Na (1);
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6cdl (F: 4) - Hiv-1 Wild Type Protease with Grl-03214A, 6-5-5-Ring Fused Umbrella- Like Tetrahydropyranofuran As the P2-Ligand, A Cyclopropylaminobenzothiazole As the P2'-Ligand and 3,5- Difluorophenylmethyl As the P1-Ligand
Other atoms:
Cl (2);
Na (1);
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6cdx (F: 1) - High-Resolution Crystal Structure of Fluoropropylated Cystine Knot, Binding to Alpha-5 Beta-6 Integrin
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6cfd (F: 22) - ADEP4 Bound to E. Faecium Clpp
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6cfm (F: 6) - Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Propynyl-Pteridinone Inhibitor
Other atoms:
Cl (7);
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6cfp (F: 1) - Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Fragment Hit Bsi-70565 1-{1- [4-Fluorophenyl)Methyl]-2-Methyl-1H-Imidazol-4-Yl}Ethan-1-One
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6cg1 (F: 4) - Crystal Structure of KDM4A with Compound 14
Other atoms:
Ni (4);
Zn (4);
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6cjf (F: 2) - Human Dihydroorotate Dehydrogenase Bound to 4-Quinoline Carboxylic Acid Inhibitor 43
Other atoms:
Cl (4);
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6cjr (F: 3) - Candida Albicans HSP90 Nucleotide Binding Domain in Complex with Snx- 2112
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6cl0 (F: 5) - Human Caspase-3 in Complex with Ac-ATS009-Ke
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6cl2 (F: 10) - Caspase-7 in Complex with Ac-ATS009-Ke
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6cm4 (F: 1) - Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone
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6cmm (F: 4) - Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N,N- Dipropynyl-Dihydropteridine Inhibitor
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6cnh (F: 1) - Human PRPF4B in Complex with Rebastinib
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6cnx (F: 8) - Crystal Structure of the Human Vaccinia-Related Kinase 1 (VRK1) Bound to An N-Propynyl-N-Isopentyl-Dihydropteridin Inhibitor
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6cox (F: 6) - Cyclooxygenase-2 (Prostaglandin Synthase-2) Complexed with A Selective Inhibitor, Sc-558 in I222 Space Group
Other atoms:
Br (2);
Fe (2);
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6cpw (F: 1) - Discovery of 3(S)-Thiomethyl Pyrrolidine Erk Inhibitors For Oncology
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6cq4 (F: 2) - TBK1 in Complex with Cyclohexyl Analog of Amlexanox
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6cqc (F: 1) - Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea
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6cqf (F: 2) - Crystal Structure of HPK1 in Complex An Inhibitor G1858
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6cqh (F: 6) - Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor
Other atoms:
Cl (4);
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6cr2 (F: 8) - Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From Aspergillus Fumigatus in Complex with the Vni Derivative N-(1-(2,4- Dichlorophenyl)-2-(1H-Imidazol-1-Yl)Ethyl)-4-(5-(2-Fluoro-4-(2,2,2- Trifluoroethoxy)Phenyl)-1,3,4-Oxadiazol-2-Yl)Benzamide
Other atoms:
Fe (2);
Cl (4);
Page generated: Tue Jul 15 10:19:44 2025
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