3DGA
 
 | | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, ... | | 著者 | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | | 登録日 | 2008-06-13 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.
Acs Chem.Biol., 4, 2009
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3DRC
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3E0B
 | | Bacillus anthracis Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B) | | 分子名称: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Anderson, A.C, Beierlein, J.M, Frey, K.M. | | 登録日 | 2008-07-31 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Synthetic and Crystallographic Studies of a New Inhibitor Series Targeting Bacillus anthracis Dihydrofolate Reductase
J.Med.Chem., 51, 2008
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3EEJ
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3EEK
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3EEL
 | | Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP11153TM) and NADPH | | 分子名称: | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Liu, J, Anderson, A. | | 登録日 | 2008-09-04 | | 公開日 | 2009-08-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors
Chem.Biol.Drug Des., 73, 2009
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3EEM
 | | Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D26M) and NADPH | | 分子名称: | 5-[(3R)-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 | Liu, J, Anderson, A. | | 登録日 | 2008-09-04 | | 公開日 | 2009-08-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors
Chem.Biol.Drug Des., 73, 2009
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3EIG
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3F8Y
 | | Correlations of Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes | | 分子名称: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | | 登録日 | 2008-11-13 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
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3F8Z
 | | Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes | | 分子名称: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | | 登録日 | 2008-11-13 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
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3F91
 | | Structural Data for Human Active Site Mutant Enzyme Complexes | | 分子名称: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | | 登録日 | 2008-11-13 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
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3FL8
 | | Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a TMP-dihydrophthalazine derivative | | 分子名称: | 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, CALCIUM ION, Dihydrofolate reductase | | 著者 | Bourne, C.R, Barrow, W.W. | | 登録日 | 2008-12-18 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2881 Å) | | 主引用文献 | Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity.
Antimicrob.Agents Chemother., 53, 2009
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3FL9
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3FRA
 | | Staphylococcus aureus F98Y DHFR complexed with iclaprim | | 分子名称: | 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oefner, C, Dale-Glenn, E. | | 登録日 | 2009-01-08 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
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3FRB
 | | S. aureus F98Y DHFR complexed with TMP | | 分子名称: | Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | | 著者 | Oefner, C, Dale-Glenn, E. | | 登録日 | 2009-01-08 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
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3FRD
 | | S. aureus DHFR complexed with NADPH and folate | | 分子名称: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oefner, C, Dale-Glenn, E. | | 登録日 | 2009-01-08 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
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3FRE
 | | S. aureus DHFR complexed with NADPH and TMP | | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | | 著者 | Oefner, C, Dale-Glenn, E. | | 登録日 | 2009-01-08 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
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3FRF
 | | S. aureus DHFR complexed with NADPH and iclaprim | | 分子名称: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oefner, C, Dale-Glenn, E. | | 登録日 | 2009-01-08 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
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3FS6
 | | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes | | 分子名称: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | | 登録日 | 2009-01-09 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
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3FY8
 | | Crystal Structure of Staph. aureus DHFR complexed with NADPH and AR-101 | | 分子名称: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oefner, C, Dale, G.E. | | 登録日 | 2009-01-22 | | 公開日 | 2009-08-04 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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3FY9
 | | Staph. aureus DHFR F98Y complexed with AR-102 | | 分子名称: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oefner, C. | | 登録日 | 2009-01-22 | | 公開日 | 2009-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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3FYV
 | | Staph. aureus DHFR complexed with NADPH and AR-102 | | 分子名称: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oefner, C. | | 登録日 | 2009-01-23 | | 公開日 | 2009-08-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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3FYW
 | | Staph. aureus DHFR complexed with NADPH and AR-101 | | 分子名称: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oefner, C. | | 登録日 | 2009-01-23 | | 公開日 | 2009-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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3GHC
 | | Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical 2-amino-4-oxo-5-substituted-6-thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agenst | | 分子名称: | Dihydrofolate reductase, N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V. | | 登録日 | 2009-03-03 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents
J.Med.Chem., 52, 2009
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3GHV
 | | Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex | | 分子名称: | Dihydrofolate reductase, GLYCEROL, N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, ... | | 著者 | Cody, V. | | 登録日 | 2009-03-04 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents
J.Med.Chem., 52, 2009
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