Fluorine in PDB, part 207 (files: 8241-8280),
PDB 7rs0-7s5h
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: 8241-8280 (PDB 7rs0-7s5h).
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7rs0 (F: 6) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-18
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7rs1 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-21
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7rs2 (F: 6) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-23
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7rs3 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-29
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7rs4 (F: 4) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-8
Other atoms:
Cl (6);
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7rs7 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-30
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7rs8 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-16
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7rs9 (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-25
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7rt1 (F: 2) - Crystal Structure of Kras G12D with Compound 15 (4-(4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-8-Fluoro-2-{[(2S)-1-Methylpyrrolidin- 2-Yl]Methoxy}Pyrido[4,3-D]Pyrimidin-7-Yl)Naphthalen-2-Ol) Bound
Other atoms:
Mg (1);
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7rt2 (F: 2) - Crystal Structure of Kras G12D with Compound 25 (4-(4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-8-Fluoro-2-{[(2R,4R,7AS)-2- Fluorotetrahydro-1H-Pyrrolizin-7A(5H)-Yl]Methoxy}Pyrido[4,3- D]Pyrimidin-7-Yl)Naphthalen-2-Ol) Bound
Other atoms:
Mg (1);
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7rt3 (F: 2) - Crystal Structure of Kras G12D with Compound 24 (4-(4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-8-Fluoro-2-{[(2S,4S,7AR)-2- Fluorotetrahydro-1H-Pyrrolizin-7A(5H)-Yl]Methoxy}Pyrido[4,3- D]Pyrimidin-7-Yl)Naphthalen-2-Ol) Bound
Other atoms:
Mg (1);
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7rt4 (F: 1) - Kras G12D in Complex with Compound 5B (7-(8-Chloronaphthalen-1-Yl)-8- Fluoro-2-{[(2S)-1-Methylpyrrolidin-2-Yl]Methoxy}-4-(Piperazin-1-Yl) Pyrido[4,3-D]Pyrimidine)
Other atoms:
Mg (1);
Cl (1);
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7rt5 (F: 2) - Crystal Structure of Kras G12D with Compound 36 (4-[(1R,5S)-3,8- Diazabicyclo[3.2.1]Octan-3-Yl]-7-(8-Ethynyl-7-Fluoronaphthalen-1-Yl)- 8-Fluoro-2-{[(4S,7AS)-Tetrahydro-1H-Pyrrolizin-7A(5H)- Yl]Methoxy}Pyrido[4,3-D]Pyrimidine) Bound
Other atoms:
Mg (1);
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7rtq (F: 24) - Sterol 14ALPHA Demethylase (CYP51) From Naegleria Fowleri in Complex with An Inhibitor R)-N-(1-(3,4'-Difluorobiphenyl-4-Yl)-2-(1H- Imidazol-1-Yl)Ethyl)-4-(5-Phenyl-1,3,4-Oxadiazol-2-Yl)Benzamide
Other atoms:
Fe (4);
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7rud (F: 9) - Dahp Synthase Complex with Trifluoropyruvate Oxime
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7rue (F: 12) - Dahp Synthase Complexed with Trifluoropyruvate Semicarbazone
Other atoms:
Mn (4);
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7ruh (F: 4) - Bromodomain-Containing Protein 4 (BRD4) Bromodomain 2 (BD2) Complexed with XR844
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7rui (F: 4) - Bromodomain-Containing Protein 4 (BRD4) Bromodomain 1 (BD1) Complexed with XR844
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7rv0 (F: 1) - Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8446
Other atoms:
Cl (2);
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7rw5 (F: 1) - Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 1
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7rwg (F: 3) - "Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-43192
Other atoms:
Cl (2);
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7rwh (F: 3) - Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
Other atoms:
Cl (1);
Mg (3);
Br (1);
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7rxv (F: 3) - Human Methionine Adenosyltransferase 2A Bound to Methylthioadenosine, Malonate (Mla) and MGF3
Other atoms:
K (1);
Na (2);
Mg (2);
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7ry3 (F: 3) - Multidrug Efflux Pump Adej with Tp-6076 Bound
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7ry8 (F: 3) - S. Cerevisiae CYP51 Y140H Mutant Complexed with Voriconazole
Other atoms:
Fe (1);
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7ry9 (F: 3) - S. Cerevisiae CYP51 I471T Mutant Complexed with Voriconazole
Other atoms:
Fe (1);
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7ryb (F: 3) - S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole
Other atoms:
Fe (1);
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7ryx (F: 7) - S. Cerevisiae CYP51 Complexed with Vt-1129
Other atoms:
Fe (1);
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7rz4 (F: 12) - Structure of the Complex of Ampa Receptor GLUA2 with Auxiliary Subunit Tarp Gamma-5 Bound to Competitive Antagonist Zk 200775
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7rz5 (F: 12) - Structure of the Complex of Lbd-Tmd Part of Ampa Receptor GLUA2 with Auxiliary Subunit Tarp Gamma-5 Bound to Competitive Antagonist Zk 200775
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7s0v (F: 3) - The Role of An Asp-Asp Pair in the Structure, Function and Inhibition of Ctx-M Class A Beta-Lactamase
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7s15 (F: 2) - Glp-1 Receptor Bound with Pfizer Small Molecule Agonist
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7s1n (F: 1) - N-Aromatic-Substituted Indazole Derivatives As Brain Penetrant and Orally Bioavailable JNK3 Inhibitors
Other atoms:
Cl (1);
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7s1r (F: 1) - PRMT5/MEP50 Crystal Structure with Mta and A Phthalazinone Inhibitor Bound (Compound (M)-31)
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7s1s (F: 1) - PRMT5/MEP50 Crystal Structure with Mta and Mrtx-1719 Bound
Other atoms:
Cl (1);
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7s4b (F: 1) - Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease in Complex with Compound Z1530724963
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7s4c (F: 3) - Crystal Structure of Inhibitor-Bound Galactokinase
Other atoms:
Cl (3);
Na (2);
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7s4e (F: 2) - Crystal Structure of Ligand ACBI1 in Complex with Bromodomain of Human SMARCA2 and Pvhl:Elonginc:Elonginb Complex
Other atoms:
Na (5);
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7s5g (F: 1) - PCSK9 in Complex with Compound 19
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7s5h (F: 1) - PCSK9(Deltacrd) in Complex with Cyclic Peptide 35
Page generated: Wed Nov 13 08:13:08 2024
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