3TQ8
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![BU of 3tq8 by Molmil](/molmil-images/mine/3tq8) | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | 著者 | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | 登録日 | 2011-09-09 | 公開日 | 2011-11-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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4EIG
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![BU of 4eig by Molmil](/molmil-images/mine/4eig) | CA1698 camel antibody fragment in complex with DHFR | 分子名称: | CA1698 camel antibody fragment, Dihydrofolate reductase | 著者 | Oyen, D, Srinivasan, V. | 登録日 | 2012-04-05 | 公開日 | 2013-04-24 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli. Biochim.Biophys.Acta, 1834, 2013
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4EIZ
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![BU of 4eiz by Molmil](/molmil-images/mine/4eiz) | Structure of Nb113 bound to apoDHFR | 分子名称: | Dihydrofolate reductase, Nb113 Camel antibody fragment | 著者 | Oyen, D, Srinivasan, V. | 登録日 | 2012-04-06 | 公開日 | 2013-04-24 | 最終更新日 | 2013-10-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli. Biochim.Biophys.Acta, 1834, 2013
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4EJ1
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![BU of 4ej1 by Molmil](/molmil-images/mine/4ej1) | |
4FGH
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![BU of 4fgh by Molmil](/molmil-images/mine/4fgh) | S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine inhibitor | 分子名称: | (2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-06-04 | 公開日 | 2013-01-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines. Chemmedchem, 7, 2012
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4ELH
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![BU of 4elh by Molmil](/molmil-images/mine/4elh) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | 分子名称: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, CALCIUM ION, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-04-10 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | 主引用文献 | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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4GH8
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![BU of 4gh8 by Molmil](/molmil-images/mine/4gh8) | Crystal structure of a 'humanized' E. coli dihydrofolate reductase | 分子名称: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | 著者 | French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J. | 登録日 | 2012-08-07 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans. Proc.Natl.Acad.Sci.USA, 110, 2013
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4H98
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![BU of 4h98 by Molmil](/molmil-images/mine/4h98) | Candida glabrata dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018) | 分子名称: | 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine, Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Paulsen, J.L, Anderson, A.C. | 登録日 | 2012-09-24 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
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4H96
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![BU of 4h96 by Molmil](/molmil-images/mine/4h96) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018) | 分子名称: | 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine, Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Paulsen, J.L, Anderson, A.C. | 登録日 | 2012-09-24 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
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4FHB
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![BU of 4fhb by Molmil](/molmil-images/mine/4fhb) | Enhancing DHFR catalysis by binding of an allosteric regulator nanobody (Nb179) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Oyen, D. | 登録日 | 2012-06-06 | 公開日 | 2013-04-24 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli. Biochim.Biophys.Acta, 1834, 2013
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4FGG
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![BU of 4fgg by Molmil](/molmil-images/mine/4fgg) | S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor | 分子名称: | (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-06-04 | 公開日 | 2013-01-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines. Chemmedchem, 7, 2012
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4H97
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![BU of 4h97 by Molmil](/molmil-images/mine/4h97) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(4-methylphenyl)phenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine (UCP111D4M) | 分子名称: | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate Reductase, GLYCEROL, ... | 著者 | Paulsen, J.L, Anderson, A.C. | 登録日 | 2012-09-24 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
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4H95
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4ELB
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![BU of 4elb by Molmil](/molmil-images/mine/4elb) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | 分子名称: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-04-10 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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4ELF
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![BU of 4elf by Molmil](/molmil-images/mine/4elf) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | 分子名称: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl ]prop-2-en-1-one, CALCIUM ION, CHLORIDE ION, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-04-10 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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4ELE
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![BU of 4ele by Molmil](/molmil-images/mine/4ele) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | 分子名称: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one, CALCIUM ION, CHLORIDE ION, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-04-10 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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4ELG
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![BU of 4elg by Molmil](/molmil-images/mine/4elg) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | 分子名称: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2 -en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-04-10 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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4G8Z
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![BU of 4g8z by Molmil](/molmil-images/mine/4g8z) | pcDHFR K37S/F69N double mutant TMP NADPH ternary complex | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | 著者 | Cody, V. | 登録日 | 2012-07-23 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Kinetic and Structural Analysis for Potent Antifolate Inhibition of Pneumocystis jirovecii, Pneumocystis carinii, and Human Dihydrofolate Reductases and Their Active-Site Variants. Antimicrob.Agents Chemother., 57, 2013
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4G95
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![BU of 4g95 by Molmil](/molmil-images/mine/4g95) | hDHFR-OAG binary complex | 分子名称: | 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | 著者 | Cody, V, Pace, J, Queener, S, Adair, O, Gangjee, A. | 登録日 | 2012-07-23 | 公開日 | 2014-01-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Kinetic and structural analysis for potent antifolate inhibition of Pneumocystis jirovecii, Pneumocystis carinii, and human dihydrofolate reductases and their active-site variants. Antimicrob.Agents Chemother., 57, 2013
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4HOG
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![BU of 4hog by Molmil](/molmil-images/mine/4hog) | Candida glabrata dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H) | 分子名称: | 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, CHLORIDE ION, Dihydrofolate Reductase, ... | 著者 | Paulsen, J.L, Anderson, A.C. | 登録日 | 2012-10-22 | 公開日 | 2014-03-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata. J.Med.Chem., 57, 2014
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4I1N
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4HOF
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![BU of 4hof by Molmil](/molmil-images/mine/4hof) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H) | 分子名称: | 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Paulsen, J.L, Anderson, A.C. | 登録日 | 2012-10-22 | 公開日 | 2014-03-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata. J.Med.Chem., 57, 2014
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4HOE
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![BU of 4hoe by Molmil](/molmil-images/mine/4hoe) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111E) | 分子名称: | 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Paulsen, J.L, Anderson, A.C. | 登録日 | 2012-10-22 | 公開日 | 2014-03-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata. J.Med.Chem., 57, 2014
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4I13
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![BU of 4i13 by Molmil](/molmil-images/mine/4i13) | |
4IXE
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![BU of 4ixe by Molmil](/molmil-images/mine/4ixe) | pcDHFR-NADPH-270 | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine | 著者 | Cody, V. | 登録日 | 2013-01-25 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Design, Synthesis, and Molecular Modeling of Novel Pyrido[2,3-d]pyrimidine Analogues As Antifolates; Application of Buchwald-Hartwig Aminations of Heterocycles. J.Med.Chem., 56, 2013
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