Fluorine in PDB, part 248 (files: 9881-9920),
PDB 8tfa-8u6r
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: 9881-9920 (PDB 8tfa-8u6r).
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8tfa (F: 1) - Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1/NUDT3) in Complex with Myo-5-Pp-IP4, Produced Upon Myo-(2OH)-IP5 Phosphorylation By Tvipk
Other atoms:
Mg (3);
Cl (1);
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8tff (F: 12) - Porx with BEF3 Phosphate Analog
Other atoms:
Ca (7);
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8tfw (F: 6) - Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound N34 Bound
Other atoms:
Mg (1);
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8tgd (F: 14) - Stx-478, A Mutant-Selective, Allosteric Inhibitor Bound to H1047R PI3KALPHA
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8thg (F: 3) - Cryo-Em Structure of NAV1.7 with Rlz
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8tjv (F: 1) - Tetrahymena Ribozyme Scaffolded Fluoride Riboswitch
Other atoms:
K (1);
Mg (30);
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8tk2 (F: 4) - Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid
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8tk3 (F: 4) - Human VH1-Related Dual-Specificity Phosphatase (Vhr) Having Oxidized Catalytic Cysteine and Complexed with 6-(Difluoromethyl)Pyrimidin-4- Ol at Two Allosteric Sites
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8tlc (F: 1) - Human Mitochondrial Serine Hydroxymethyltransferase (SHMT2) in Complex with Plp, Glycine and Tri-Glutamate AGF347 Inhibitor
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8tlr (F: 2) - Crystal Structure of Human Hras G12C Covalently Bound to Amg 510
Other atoms:
Mg (1);
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8tn6 (F: 3) - De Novo Designed Protein Binds Poly Adp Ribose Polymerase Inhibitors (Parpi) - Holo Rucaparib
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8tnb (F: 3) - De Novo Designed Protein Binds Poly Adp Ribose Polymerase Inhibitors (Parpi) - Holo Mefuparib
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8tov (F: 24) - Hiv-Ca Disulfide Linked Hexamer Bound to Quinazolin-4-One Scaffold Inhibitor
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8tqp (F: 24) - Hiv-Ca Disulfide Linked Hexamer Bound to Quinazolin-4-One Scaffold Inhibitor
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8tra (F: 9) - Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
Other atoms:
Na (1);
Cl (3);
Zn (6);
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8ts9 (F: 4) - Human PI3K P85ALPHA/P110ALPHA H1047R Bound to Compound 1
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8tsa (F: 1) - Human PI3K P85ALPHA/P110ALPHA H1047R Bound to Compound 2
Other atoms:
Br (1);
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8tsb (F: 1) - Human PI3K P85ALPHA/P110ALPHA Bound to Compound 2
Other atoms:
Br (1);
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8tsc (F: 4) - Human PI3K P85ALPHA/P110ALPHA H1047R Bound to Compound 3
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8tsd (F: 5) - Human PI3K P85ALPHA/P110ALPHA Bound to Rly-2608
Other atoms:
Cl (1);
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8tsi (F: 8) - S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-
Other atoms:
Al (2);
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8tvm (F: 4) - IRAK4 in Complex with Compound 24
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8tvn (F: 4) - IRAK4 in Complex with Compound 23
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8twh (F: 20) - Crystal Structure of (Gggtt)3GGG G-Quadruplex in Complex with Small Molecule Ligand RHPS4
Other atoms:
K (25);
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8twy (F: 2) - Structure of PIK3CA with Covalent Inhibitor ALO26
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8txe (F: 10) - Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
Other atoms:
Cl (2);
Mg (2);
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8txg (F: 3) - Crystal Structure of Kras G12D in Complex with Gdp and Compound 8
Other atoms:
Cl (1);
Mg (1);
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8txh (F: 12) - Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
Other atoms:
Mg (2);
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8tyq (F: 3) - Structure of the C-Terminal Half of LRRK2 Bound to Gzd-824 (G2019S Mutant)
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8tz6 (F: 3) - Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206
Other atoms:
Na (3);
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8tzb (F: 3) - Structure of the C-Terminal Half of LRRK2 Bound to Gzd-824 (I2020T Mutant)
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8tze (F: 3) - Structure of C-Terminal Half of LRRK2 Bound to Gzd-824
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8tzf (F: 3) - Structure of Full Length LRRK2 Bound to Gzd-824 (I2020T Mutant)
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8u0q (F: 4) - Co-Crystal Structure of Optimized Analog Tdi-13537 Provided New Insights Into the Potency Determinants of the Sulfonamide Inhibitor Series
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8u2e (F: 1) - Bruton'S Tyrosine Kinase in Complex with N-[(2R)-1-[(3R)-3- (Methylcarbamoyl)-1H,2H,3H,4H,9H-Pyrido[3,4-B]Indol-2-Yl]-3-(3- Methylphenyl)-1-Oxopropan-2-Yl]-1H-Indazole-5-Carboxamide
Other atoms:
Cl (1);
I (1);
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8u2m (F: 12) - Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide
Other atoms:
Fe (3);
Na (5);
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8u37 (F: 3) - Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution
Other atoms:
Mg (1);
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8u57 (F: 60) - Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
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8u59 (F: 1) - Ecdsba Soaked with N-(2-Fluorophenyl)-5-Methylisoxazole-3-Carboxamide and N-(4-(Thiophen-3-Yl)Benzyl)Cyclohexanamine
Other atoms:
Cu (1);
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8u6r (F: 2) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 3-(2- ((2-Cyanoindolizin-8-Yl)Oxy)Phenoxy)-N-(2,2-Difluoroethyl)Propanamide (JLJ756), A Non-Nucleoside Inhibitor
Page generated: Tue Feb 25 09:29:26 2025
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