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5HVE
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BU of 5hve by Molmil
5-methyl-6-(3'-trifluromethoxyphenylthio)[2,3-d]pyrimidine 2,4-diamine
分子名称: 5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}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 (1.46 Å)
主引用文献Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-(4'-methoxyphenythio)[2,3-d]pyrrolo-7-ethyl-2,4-diamines
To Be Published
5HVB
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BU of 5hvb by Molmil
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
5HUI
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BU of 5hui by Molmil
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
5HT5
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BU of 5ht5 by Molmil
6-substituted pyrrolo[2,3-d]pyrimidine 6-thieno-(4-methoxyphenyl)
分子名称: 6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2016-01-26
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-(4'-methoxyphenythio)[2,3-d]pyrrolo-7-ethyl-2,4-diamines
To Be Published
5HT4
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BU of 5ht4 by Molmil
6-substituted pyrrolo[2,3-d]pyrimidine 6-thieno-(4-methoxyphenyl)
分子名称: 7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2016-01-26
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-(4'-methoxyphenythio)[2,3-d]pyrrolo-7-ethyl-2,4-diamines
To Be Published
5HSU
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BU of 5hsu by Molmil
Fluorine substituted 5-methyl-6-(2',4'-difluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine
分子名称: 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2016-01-26
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 fluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines
To Be Published
5HSR
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BU of 5hsr by Molmil
Fluorine substituted 5-methyl-6-(3',4'-difluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine
分子名称: 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2016-01-26
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines
To Be Published
5HQZ
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BU of 5hqz by Molmil
Fluorine substituted 5-methyl-6-(4'-trifluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine
分子名称: 5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2016-01-22
公開日2017-01-25
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 fluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines
To Be Published
5HQY
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BU of 5hqy by Molmil
human dihydrofolate reductase complex with NADPH and 5-methyl-6-(2',3',4'-trifluorophenylthio)thieno[2,3-d]pyrimidine-2,4-diamine
分子名称: 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2016-01-22
公開日2017-01-25
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 fluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines
To Be Published
5HPB
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BU of 5hpb by Molmil
human dihydrofolate reductase complex with NADPH and 5-methyl-6-(phenylthio-4'trifluoromethyl)thieno[2,3-d]pyrimidine-2,4-diamine
分子名称: 5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V, Ganjee, A.
登録日2016-01-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Human dihydrofolate reductase ternary complex with a series offluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines
To Be Published
5HI6
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BU of 5hi6 by Molmil
The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form
分子名称: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
著者Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-11
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form
To Be Published
5HF2
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BU of 5hf2 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with cyclized alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1175)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
著者Reeve, S.M, Anderson, A.C.
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 (1.81 Å)
主引用文献Staphylococcus aureus Dihydrofolate Reductase complexed with cyclized alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1175)
To Be Published
5HF0
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BU of 5hf0 by Molmil
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
5FDA
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BU of 5fda by Molmil
The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A
分子名称: CHLORIDE ION, Dihydrofolate reductase
著者Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-15
公開日2015-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献structure of dihydrofolate reductase from Yersinia pestis complex with
To Be Published
5ECX
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BU of 5ecx by Molmil
Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(6-(pyridin-4-yl)benzo[d][1,3]dioxol-4-yl)but-1-yn-1-yl)pyrimidine-2,4-diamine
分子名称: 6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine, Dehydrofolate reductase type I, GLYCEROL, ...
著者Lombardo, M.N, Anderson, A.C.
登録日2015-10-20
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates.
ACS Infect Dis, 2, 2016
5ECC
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BU of 5ecc by Molmil
Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-yn-1-yl)pyrimidine-2,4-diamine
分子名称: 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dehydrofolate reductase type I, ...
著者Lombardo, M.N, Anderson, A.C.
登録日2015-10-20
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates.
ACS Infect Dis, 2, 2016
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
分子名称: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cuneo, M.J, Agarwal, P.K.
登録日2015-10-16
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
5E8Q
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BU of 5e8q by Molmil
Crystal structure of DHFR in 20% Isopropanol
分子名称: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cuneo, M.J, Agarwal, P.K.
登録日2015-10-14
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Solvent conditions control enzyme dynamics and catalysis
To Be Published
5DFR
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BU of 5dfr by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING
分子名称: CHLORIDE ION, DIHYDROFOLATE REDUCTASE
著者Bystroff, C, Kraut, J.
登録日1988-10-21
公開日1990-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of unliganded Escherichia coli dihydrofolate reductase. Ligand-induced conformational changes and cooperativity in binding.
Biochemistry, 30, 1991
5CCC
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BU of 5ccc by Molmil
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oyen, D, Wright, P.E.
登録日2015-07-01
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
5CC9
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BU of 5cc9 by Molmil
L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oyen, D, Wright, P.E.
登録日2015-07-01
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
4XEC
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BU of 4xec by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1061)
分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, Dihydrofolate reductase, ...
著者Reeve, S.M, Anderson, A.C.
登録日2014-12-23
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.692 Å)
主引用文献Nonracemic Antifolates Stereoselectively Recruit Alternate Cofactors and Overcome Resistance in S. aureus.
J.Am.Chem.Soc., 137, 2015
4XE6
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BU of 4xe6 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1061)
分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, Dihydrofolate reductase, ...
著者Reeve, S.M, Anderson, A.C.
登録日2014-12-23
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.692 Å)
主引用文献Stereo-selectively Induced Cofactor Switching Provides Insight into Cofactor Site Plasticity as a Possible Mechanism of Antifolate Resistance
To Be Published
4X5J
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BU of 4x5j by Molmil
ecDHFR complexed with folate and NADP+ at 750 MPa
分子名称: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ...
著者Yamada, H, Watanabe, N, Nagae, T.
登録日2014-12-05
公開日2016-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
4X5I
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BU of 4x5i by Molmil
ecDHFR complexed with folate and NADP+ at 660 MPa
分子名称: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ...
著者Yamada, H, Watanabe, N, Nagae, T.
登録日2014-12-05
公開日2016-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018

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件を2024-06-12に公開中

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