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6L3R
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BU of 6l3r by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
分子名称: 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide, ACETATE ION, MAGNESIUM ION, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-10-15
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6L7L
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BU of 6l7l by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
分子名称: 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.171 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6LKM
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BU of 6lkm by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
分子名称: 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
3ARN
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BU of 3arn by Molmil
Human dUTPase in complex with novel uracil derivative
分子名称: Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide
著者Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M.
登録日2010-12-03
公開日2010-12-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a novel class of potent human deoxyuridine triphosphatase inhibitors remarkably enhancing the antitumor activity of thymidylate synthase inhibitors
J.Med.Chem., 55, 2012
5H4J
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BU of 5h4j by Molmil
Crystal structure of Human dUTPase in complex with N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide
分子名称: DIMETHYL SULFOXIDE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ...
著者Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M.
登録日2016-11-01
公開日2017-11-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献TAS-114, a First-in-Class Dual dUTPase/DPD Inhibitor, Demonstrates Potential to Improve Therapeutic Efficacy of Fluoropyrimidine-Based Chemotherapy.
Mol. Cancer Ther., 17, 2018
3ARA
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BU of 3ara by Molmil
Discovery of Novel Uracil Derivatives as Potent Human dUTPase Inhibitors
分子名称: 1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION
著者Chong, K.T, Miyakoshi, H, Miyahara, S, Fukuoka, M.
登録日2010-11-25
公開日2010-12-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and discovery of N-carbonylpyrrolidine- or N-sulfonylpyrrolidine-containing uracil derivatives as potent human deoxyuridine triphosphatase inhibitors
J.Med.Chem., 55, 2012

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件を2024-06-12に公開中

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