Fluorine in PDB, part 80 (files: 3161-3200),
PDB 4qte-4rv6
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: 3161-3200 (PDB 4qte-4rv6).
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4qte (F: 1) - Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide
Other atoms:
Cl (4);
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4qtl (F: 3) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with Inhibitor
Other atoms:
Zn (1);
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4qvx (F: 2) - Discovery of A Potent and Selective Bcl-Xl Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
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4qw9 (F: 2) - Ternary Crystal Structures of A Y-Family Dna Polymerase DPO4 From Sulfolobus Solfataricus in Complex with Dna and (-)Ftc-Ppnp
Other atoms:
Ca (3);
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4qwe (F: 1) - Ternary Crystal Structures of A Y-Family Dna Polymerase DPO4 From Sulfolobus Solfataricus in Complex with Dna and (-)Ftc-Dp
Other atoms:
Ca (3);
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4qxi (F: 1) - Crystal Structure of Human Ar Complexed with Nadp+ and AK198
Other atoms:
Cl (1);
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4qxm (F: 2) - Crystal Structure of the Inha:GSK_SB713 Complex
Other atoms:
Cl (2);
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4qzs (F: 11) - Crystal Structure of the First Bromodomain of Human 3-Fluoro Tyrosine- Labeled BRD4 in Complex with JQ1
Other atoms:
Cl (2);
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4r3c (F: 1) - Crystal Structure of P38 Alpha Map Kinase in Complex with A Novel Isoform Selective Drug Candidate
Other atoms:
Cl (2);
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4r5n (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Other atoms:
Ni (1);
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4r5w (F: 6) - Human ARTD1 (PARP1) - Catalytic Domain in Complex with Inhibitor XAV939
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4r5y (F: 6) - The Complex Structure of Braf V600E Kinase Domain with A Novel Braf Inhibitor
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4r7h (F: 3) - Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX3397
Other atoms:
Cl (1);
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4r84 (F: 4) - Crystal Structure of Sialyltransferase From Photobacterium Damsela with Cmp-3F(A)NEU5AC Bound
Other atoms:
Ca (4);
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4r88 (F: 6) - Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Fluorocytosine
Other atoms:
Fe (6);
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4ra4 (F: 1) - Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-Piperidin-4-Yl)-7-(2-Fluoro- Phenyl)-4-Methyl-2,10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One)
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4rcd (F: 1) - Crystal Structure of BACE1 in Complex with A 2-Aminooxazoline 4- Azaxanthene Inhibitor
Other atoms:
I (3);
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4rcf (F: 2) - Crystal Structure of BACE1 in Complex with 2-Aminooxazoline 4- Fluoroxanthene Inhibitor 49
Other atoms:
I (3);
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4re9 (F: 2) - Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound 71290
Other atoms:
Zn (2);
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4rfm (F: 2) - Itk Kinase Domain in Complex with Compound 1 N-{1-[(1,1-Dioxo-1-Thian- 2-Yl)(Phenyl)Methyl]-1H- Pyrazol-4-Yl}-5,5-Difluoro-5A-Methyl-1H,4H, 4AH,5H,5AH,6H-Cyclopropa[F]Indazole-3-Carboxamide
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4rfz (F: 1) - Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One
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4rg0 (F: 1) - Crystal Structure of Btk Kinase Domain Complexed with 2-[8-Fluoro-2- [2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(4-Methylpiperazin-1-Yl)-2- Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-1-Oxo-3,4-Dihydroisoquinolin- 6-Yl]-2-Methyl-Propanenitrile
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4rio (F: 1) - Crystal Structure of JAK3 Kinase Domain in Complex with A Pyrrolopyridazine Carboxamide Inhibitor
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4rjd (F: 12) - Tfp Bound in Alternate Orientations to Calcium-Saturated Calmodulin C- Domains
Other atoms:
Cl (2);
Ca (4);
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4rk8 (F: 2) - Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A356
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4rlo (F: 1) - Human P70S6K1 with Ruthenium-Based Inhibitor EM5
Other atoms:
Ru (1);
Cl (6);
-
4rlp (F: 1) - Human P70S6K1 with Ruthenium-Based Inhibitor FL772
Other atoms:
Ru (1);
Cl (6);
-
4rm2 (F: 3) - Crystal Structure of A Benzoate Coenzyme A Ligase with 2-Fluoro Benzoic Acid
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4rpk (F: 12) - Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galf
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4rpl (F: 12) - Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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4rpv (F: 2) - Co-Crystal Structure of PIM1 with Compound 3
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4rrn (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Other atoms:
Ni (1);
-
4rro (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Other atoms:
Ni (1);
-
4rrs (F: 1) - 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Other atoms:
Ni (1);
-
4rrw (F: 4) - Crystal Structure of Apo Murine Cyclooxygenase-2
Other atoms:
Cl (4);
-
4rrx (F: 2) - Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib
Other atoms:
Cl (2);
-
4rrz (F: 4) - Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Complexed with Lumiracoxib
Other atoms:
Cl (4);
-
4rup (F: 6) - Crystal Structure of Zvdr L337H Mutant-GEMINI72 Complex
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4rv3 (F: 5) - Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus
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4rv6 (F: 2) - Human ARTD1 (PARP1) Catalytic Domain in Complex with Inhibitor Rucaparib
Page generated: Wed Nov 13 08:07:32 2024
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