7CTW
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![BU of 7ctw by Molmil](/molmil-images/mine/7ctw) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP | 分子名称: | 1-(2-methylsulfanylphenyl)piperazine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Vanichtanankul, J, Vitsupakorn, D. | 登録日 | 2020-08-20 | 公開日 | 2021-04-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
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7CVR
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![BU of 7cvr by Molmil](/molmil-images/mine/7cvr) | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine | 分子名称: | (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | 著者 | Stanfield, J.K, Sugimoto, H, Shoji, O. | 登録日 | 2020-08-26 | 公開日 | 2021-09-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution To Be Published
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7CX6
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![BU of 7cx6 by Molmil](/molmil-images/mine/7cx6) | |
7CX8
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![BU of 7cx8 by Molmil](/molmil-images/mine/7cx8) | Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine | 分子名称: | (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ... | 著者 | Stanfield, J.K, Sugimoto, H, Shoji, O. | 登録日 | 2020-09-01 | 公開日 | 2021-09-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution To Be Published
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7CKN
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![BU of 7ckn by Molmil](/molmil-images/mine/7ckn) | |
7COO
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![BU of 7coo by Molmil](/molmil-images/mine/7coo) | |
7CON
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![BU of 7con by Molmil](/molmil-images/mine/7con) | |
7CP8
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![BU of 7cp8 by Molmil](/molmil-images/mine/7cp8) | |
3VXV
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![BU of 3vxv by Molmil](/molmil-images/mine/3vxv) | Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ... | 著者 | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | 登録日 | 2012-09-21 | 公開日 | 2013-01-16 | 最終更新日 | 2013-08-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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6KP7
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![BU of 6kp7 by Molmil](/molmil-images/mine/6kp7) | |
6KP2
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![BU of 6kp2 by Molmil](/molmil-images/mine/6kp2) | |
6KOT
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![BU of 6kot by Molmil](/molmil-images/mine/6kot) | |
6LEV
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![BU of 6lev by Molmil](/molmil-images/mine/6lev) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH | 分子名称: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Vanichtanankul, J, Vitsupakorn, D. | 登録日 | 2019-11-27 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | 主引用文献 | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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6KPR
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![BU of 6kpr by Molmil](/molmil-images/mine/6kpr) | |
6LEU
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![BU of 6leu by Molmil](/molmil-images/mine/6leu) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 42 and NADPH | 分子名称: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Vanichtanankul, J, Vitsupakorn, D. | 登録日 | 2019-11-27 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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6LHJ
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![BU of 6lhj by Molmil](/molmil-images/mine/6lhj) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C452 (compound 16) and NADPH | 分子名称: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Vanichtanankul, J, Vitsupakorn, D. | 登録日 | 2019-12-09 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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6LH9
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![BU of 6lh9 by Molmil](/molmil-images/mine/6lh9) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH | 分子名称: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Vanichtanankul, J, Vitsupakorn, D. | 登録日 | 2019-12-07 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | 主引用文献 | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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6LEZ
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![BU of 6lez by Molmil](/molmil-images/mine/6lez) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH | 分子名称: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Vanichtanankul, J, Vitsupakorn, D. | 登録日 | 2019-11-27 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | 主引用文献 | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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6LHI
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![BU of 6lhi by Molmil](/molmil-images/mine/6lhi) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH | 分子名称: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Vanichtanankul, J, Vitsupakorn, D. | 登録日 | 2019-12-09 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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7E46
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![BU of 7e46 by Molmil](/molmil-images/mine/7e46) | |
3VYB
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![BU of 3vyb by Molmil](/molmil-images/mine/3vyb) | Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/hmCG sequence | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5HC)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | 著者 | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | 登録日 | 2012-09-22 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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3VXX
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![BU of 3vxx by Molmil](/molmil-images/mine/3vxx) | Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/5mCG sequence | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5CM)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | 著者 | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | 登録日 | 2012-09-21 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.204 Å) | 主引用文献 | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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3VYQ
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![BU of 3vyq by Molmil](/molmil-images/mine/3vyq) | Crystal structure of the methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence in space group P1 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*AP*TP*CP*(5CM)P*GP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*TP*GP*GP*AP*TP*GP*T)-3'), ... | 著者 | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | 登録日 | 2012-10-02 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.525 Å) | 主引用文献 | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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7CZI
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![BU of 7czi by Molmil](/molmil-images/mine/7czi) | |
7D0T
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![BU of 7d0t by Molmil](/molmil-images/mine/7d0t) | |