5HUI
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![BU of 5hui by Molmil](/molmil-images/mine/5hui) | 6-substituted pyrido[3,2-d]pyrimidine--6-4'-trifluoromethoxyphenyl) | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine, ... | 著者 | Cody, V. | 登録日 | 2016-01-27 | 公開日 | 2017-02-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Human dihydrofolate reductase ternary complex with a series of 6-substituted pyrido[3,2]pyrimidine-6-(4'-trifluoromethoxypheny)-2,4-diamines To Be Published
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5IST
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![BU of 5ist by Molmil](/molmil-images/mine/5ist) | Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) | 分子名称: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Anderson, A.C, Reeve, S.M. | 登録日 | 2016-03-15 | 公開日 | 2017-06-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.723 Å) | 主引用文献 | Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations. J. Med. Chem., 59, 2016
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5ISP
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![BU of 5isp by Molmil](/molmil-images/mine/5isp) | Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) | 分子名称: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Anderson, A.C, Reeve, S.M. | 登録日 | 2016-03-15 | 公開日 | 2017-06-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations. J. Med. Chem., 59, 2016
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5ISQ
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![BU of 5isq by Molmil](/molmil-images/mine/5isq) | Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) | 分子名称: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Anderson, A.C, Reeve, S.M. | 登録日 | 2016-03-15 | 公開日 | 2017-06-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations. J. Med. Chem., 59, 2016
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5HVB
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![BU of 5hvb by Molmil](/molmil-images/mine/5hvb) | 5-methyl-6-(1-naphthylthio)thieno[2,3-d]pyrimidine 2,4-diamine | 分子名称: | 5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cody, V. | 登録日 | 2016-01-28 | 公開日 | 2017-02-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-(1-napthylthio)[2,3-d]pyrimidine-2,4-diamines To Be Published
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5HF0
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![BU of 5hf0 by Molmil](/molmil-images/mine/5hf0) | Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) | 分子名称: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Anderson, A.C, Reeve, S.M. | 登録日 | 2016-01-06 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.245 Å) | 主引用文献 | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1106) To Be Published
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5JA3
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![BU of 5ja3 by Molmil](/molmil-images/mine/5ja3) | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106) | 分子名称: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hajian, B, Anderson, A.C. | 登録日 | 2016-04-11 | 公開日 | 2016-08-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.814 Å) | 主引用文献 | Propargyl-Linked Antifolates Are Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Plos One, 11, 2016
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8F09
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![BU of 8f09 by Molmil](/molmil-images/mine/8f09) | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium | 分子名称: | Dihydrofolate reductase, SULFATE ION | 著者 | Stogios, P.J, Evdokimova, D, Borek, D, Di Leo, R, Semper, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-11-02 | 公開日 | 2022-11-16 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium To Be Published
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8F82
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![BU of 8f82 by Molmil](/molmil-images/mine/8f82) | |
8F83
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![BU of 8f83 by Molmil](/molmil-images/mine/8f83) | |
8F85
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![BU of 8f85 by Molmil](/molmil-images/mine/8f85) | |
8F81
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![BU of 8f81 by Molmil](/molmil-images/mine/8f81) | |
8F84
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![BU of 8f84 by Molmil](/molmil-images/mine/8f84) | |
8F80
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![BU of 8f80 by Molmil](/molmil-images/mine/8f80) | |
3KFY
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![BU of 3kfy by Molmil](/molmil-images/mine/3kfy) | Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR | 分子名称: | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ... | 著者 | Collins, E.J, Lee, A.L, Carroll, M.J, Gromova, A.V, Miller, K.R, Singleton, S.F. | 登録日 | 2009-10-28 | 公開日 | 2010-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR To be Published
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3LG4
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![BU of 3lg4 by Molmil](/molmil-images/mine/3lg4) | Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | 分子名称: | 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Frey, K.M, Anderson, A.C. | 登録日 | 2010-07-08 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Predicting resistance mutations using protein design algorithms. Proc.Natl.Acad.Sci.USA, 107, 2010
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3JVX
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![BU of 3jvx by Molmil](/molmil-images/mine/3jvx) | Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A) | 分子名称: | 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Anderson, A.C, Beierlein, J.M, Karri, N.G. | 登録日 | 2009-09-17 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase To be Published
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3JW5
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![BU of 3jw5 by Molmil](/molmil-images/mine/3jw5) | |
3K45
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![BU of 3k45 by Molmil](/molmil-images/mine/3k45) | Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase | 分子名称: | 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cody, V. | 登録日 | 2009-10-05 | 公開日 | 2009-10-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 17, 2009
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3K47
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![BU of 3k47 by Molmil](/molmil-images/mine/3k47) | Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase | 分子名称: | 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cody, V, Pace, J, Queener, S.F, Gangjee, A. | 登録日 | 2009-10-05 | 公開日 | 2009-10-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 17, 2009
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3JW3
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![BU of 3jw3 by Molmil](/molmil-images/mine/3jw3) | |
3JWM
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![BU of 3jwm by Molmil](/molmil-images/mine/3jwm) | Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A) | 分子名称: | 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Anderson, A.C, Beierlein, J.M, Karri, N.G. | 登録日 | 2009-09-18 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase To be Published
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3JWC
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![BU of 3jwc by Molmil](/molmil-images/mine/3jwc) | Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A) | 分子名称: | 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Anderson, A.C, Beierlein, J.M, Karri, N.G. | 登録日 | 2009-09-18 | 公開日 | 2010-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships J.Med.Chem., 2010
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3JWK
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![BU of 3jwk by Molmil](/molmil-images/mine/3jwk) | Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A) | 分子名称: | 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Anderson, A.C, Beierlein, J.M, Karri, N.G. | 登録日 | 2009-09-18 | 公開日 | 2010-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships J.Med.Chem., 2010
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3JWF
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![BU of 3jwf by Molmil](/molmil-images/mine/3jwf) | Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (R)-2,4-diamino-5-(3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP113A) | 分子名称: | (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Anderson, A.C, Beierlein, J.M, Karri, N.G. | 登録日 | 2009-09-18 | 公開日 | 2010-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships J.Med.Chem., 2010
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