Fluorine in PDB, part 192 (files: 7641-7680),
PDB 7khg-7ksj
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: 7641-7680 (PDB 7khg-7ksj).
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7khg (F: 3) - Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397
Other atoms:
Cl (1);
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7khh (F: 2) - Ternary Complex of Vhl/BRD4-BD1/COMPOUND9 (4-(3,5-Difluoropyridin-2- Yl)-N-(11-(((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-Methylthiazol-5-Yl) Benzyl)Carbamoyl)Pyrrolidin-1-Yl)-3,3-Dimethyl-1-Oxobutan-2-Yl) Amino)-11-Oxoundecyl)-10-Methyl-7-((Methylsulfonyl)Methyl)-11-Oxo-3, 4,10,11-Tetrahydro-1H-1,4,10-Triazadibenzo[Cd,F]Azulene-6- Carboxamide)
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7khl (F: 2) - BRD4-BD1 COMPOUND6 (Methyl 4-(3,5-Difluoropyridin-2-Yl)-10-Methyl-7- ((Methylsulfonyl)Methyl)-11-Oxo-3,4,10,11-Tetrahydro-1H-1,4,10- Triazadibenzo[Cd,F]Azulene-6-Carboxylate)
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7ki7 (F: 3) - The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site
Other atoms:
Cs (3);
Cl (11);
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7kid (F: 3) - PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
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7kjs (F: 2) - Crystal Structure of CDK2/Cyclin E in Complex with Pf-06873600
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7kjw (F: 3) - Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz
Other atoms:
Mg (1);
Cl (1);
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7kk3 (F: 8) - Structure of the Catalytic Domain of PARP1 in Complex with Talazoparib
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7kk4 (F: 2) - Structure of the Catalytic Domain of PARP1 in Complex with Olaparib
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7kk8 (F: 1) - Fluoride Channel Fluc-EC2 Mutant S81T with Bromide
Other atoms:
Br (2);
Na (1);
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7kka (F: 2) - Fluoride Channel Fluc-EC2 Mutant S81A with Bromide
Other atoms:
Na (1);
Br (2);
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7kkb (F: 2) - Fluoride Channel Fluc-EC2 Mutant S81C with Bromide
Other atoms:
Br (2);
Na (1);
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7kkh (F: 2) - P1A4 Fab in Complex with ARS1620
Other atoms:
Cl (1);
Na (2);
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7kkn (F: 8) - Structure of the Catalytic Domain of Tankyrase 1 in Complex with Talazoparib
Other atoms:
Zn (4);
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7kko (F: 3) - Structure of the Catalytic Domain of Tankyrase 1 in Complex with Olaparib
Other atoms:
Zn (3);
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7kle (F: 1) - Ternary Structure of DPO4 Bound to N7MG in the Template Base Paired with Incoming Dctp
Other atoms:
Ca (3);
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7km7 (F: 2) - Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001914, Tetragonal Crystal From
Other atoms:
Br (2);
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7km8 (F: 4) - Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001914, Orthorhombic Crystal From
Other atoms:
Cl (4);
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7km9 (F: 2) - Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From
Other atoms:
Br (2);
Cl (1);
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7knr (F: 2) - The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558
Other atoms:
Mn (2);
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7kny (F: 1) - The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528
Other atoms:
Mn (2);
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7ko0 (F: 1) - Crystal Structure of the Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179
Other atoms:
Cl (1);
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7kop (F: 1) - The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with SJ000988539
Other atoms:
Mn (2);
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7kp8 (F: 2) - Asymmetric Mtnf-Alpha HTNFR1 Complex
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7kp9 (F: 2) - Asymmetric Htnf-Alpha
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7kpa (F: 2) - Mtnf-Alpha HTNFR1 Complex
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7kpb (F: 2) - Asymmetric Htnf-Alpha
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7kqd (F: 4) - Prefusion Rsv F Bound to RV521
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7kqf (F: 3) - The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution
Other atoms:
Cs (6);
Cl (6);
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7kqj (F: 8) - Crystal Structure of Rar-Related Orphan Receptor C (Nhis-Rorgt(244- 487)-L6-SRC1(678-692) in Complex with A Novel Tricyclic-Carbocylic Rorgt Inverse Agonist
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7kqs (F: 4) - A 1.68-A Resolution 3-Fluoro-L-Tyrosine Bound Crystal Structure of Heme-Dependent Tyrosine Hydroxylase
Other atoms:
Fe (2);
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7kqt (F: 4) - A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide
Other atoms:
Fe (2);
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7kqu (F: 4) - A 1.58-A Resolution Crystal Structure of Ferric-Hydroperoxo Intermediate of L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L- Tyrosine
Other atoms:
Fe (2);
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7kre (F: 1) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704)
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7krf (F: 1) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 4-(3-(2-Cyanovinyl)-5-Fluorophenoxy)-3-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ710)
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7krj (F: 1) - The Gr-Maturation Complex: Glucocorticoid Receptor in Complex with HSP90 and Co-Chaperone P23
Other atoms:
Mg (2);
-
7krn (F: 3) - Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc
Other atoms:
Mg (2);
Zn (5);
Al (1);
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7kro (F: 6) - Structure of Sars-Cov-2 Backtracked Complex Complex Bound to NSP13 Helicase - NSP13(2)-Btc
Other atoms:
Al (2);
Zn (8);
Mg (3);
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7ksi (F: 1) - Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Other atoms:
Cl (1);
-
7ksj (F: 1) - Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Other atoms:
Cl (1);
Page generated: Wed Nov 13 08:12:34 2024
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