Fluorine in PDB, part 205 (files: 8161-8200),
PDB 7rj4-7rv0
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: 8161-8200 (PDB 7rj4-7rv0).
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7rj4 (F: 30) - Co-Crystal Structure of Lenacapavir Bound to N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
Other atoms:
Cl (21);
I (3);
-
7rj8 (F: 2) - Crystal Structure of AP2 Associated Kinase 1 Isoform 1 Complexed with Ligand (2R)-2-Amino-N-[3-(Difluorom Ethoxy)-4-(1,3-Oxazol-5-Yl) Phenyl]-4-Methylpentanamide
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7rje (F: 8) - Complex III2 From Candida Albicans, Inz-5 Bound
Other atoms:
Fe (10);
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7rkr (F: 4) - Naegleria Fowleri CYP51 (NFCYP51) Complex with (S)-1-(4-Fluorophenyl)- 2-(1H-Imidazol-1-Yl)Ethyl 3-(Trifluoromethyl)Benzoate
Other atoms:
Ca (2);
Fe (1);
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7rkt (F: 3) - Naegleria Fowleri CYP51 (NFCYP51) Complex with (S)-1-(2,4- Dichlorophenyl)-2-(1H-Imidazol-1-Yl)Ethyl 3-(Trifluoromethyl)Benzoate
Other atoms:
Fe (1);
Cl (2);
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7rkw (F: 1) - Naegleria Fowleri CYP51(NFCYP51) Complex with (S)-1-(4-Fluorophenyl)- 2-(1H-Imidazol-1-Yl)Ethyl 3,5-Dichlorobenzoate
Other atoms:
Cl (2);
Fe (1);
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7rme (F: 3) - Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-52
Other atoms:
Cl (1);
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7rmj (F: 48) - Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor (S)-N-(1-(3-(4-Chloro-3-(Methylsulfonamido)-1-(2,2,2-Trifluoroethyl)- 1H-Indazol-7-Yl)-6-(3-Methyl-3-(Methylsulfonyl)But-1-Yn-1-Yl)Pyridin- 2-Yl)-2-(3,5-Difluorophenyl)Ethyl)-2-(3-(Trifluoromethyl)-4,5,6,7- Tetrahydro-1H-Indazol-1-Yl)Acetamide
Other atoms:
I (5);
Cl (23);
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7rmz (F: 3) - Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63
Other atoms:
Cl (1);
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7rn6 (F: 3) - High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to Type-II Inhibitor BBT594
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7roj (F: 12) - Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation
Other atoms:
Na (1);
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7ros (F: 4) - Plasmodium Falciparum Tyrosyl-Trna Synthetase in Complex with ML901- Tyr
Other atoms:
Mg (2);
Cl (2);
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7rot (F: 4) - Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr
Other atoms:
Cl (1);
Mg (2);
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7rou (F: 2) - Structure of Human Tyrosyl Trna Synthetase in Complex with ML901-Tyr
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7rpz (F: 3) - Kras G12D in Complex with Mrtx-1133
Other atoms:
Mg (1);
-
7rrb (F: 2) - IDO1 in Complex with Compound 9
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7rrc (F: 8) - IDO1 in Complex with Compound 14
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7rrd (F: 2) - IDO1 in Complex with Compound S-1
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7rrx (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-19
Other atoms:
Cl (2);
-
7rry (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-20
Other atoms:
Cl (2);
-
7rrz (F: 12) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (L372S, L536S) in Complex with Dmeri-30
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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);
-
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);
-
7rud (F: 9) - Dahp Synthase Complex with Trifluoropyruvate Oxime
-
7rue (F: 12) - Dahp Synthase Complexed with Trifluoropyruvate Semicarbazone
Other atoms:
Mn (4);
-
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);
Page generated: Thu Dec 28 04:17:36 2023
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