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PDB: 615 件
4ELG
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Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2 -en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
4EJ1
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Binding of Nb113 camelid antibody fragment with the binary DHFR:folate complex
分子名称: Dihydrofolate reductase, FOLIC ACID, Nb113 camelid antibody fragment, ...
著者Oyen, D, Srinivasan, V.
登録日2012-04-06
公開日2013-04-24
最終更新日2013-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
1S3Y
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Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
分子名称: 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
登録日2004-01-14
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1RX6
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BU of 1rx6 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, ...
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX7
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BU of 1rx7 by Molmil
STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID
著者Sawaya, M.R.
登録日1996-10-25
公開日1997-03-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX1
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DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
分子名称: CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX8
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DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
分子名称: BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ...
著者Sawaya, M.R.
登録日1996-10-25
公開日1997-03-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1S3V
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Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
分子名称: (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
登録日2004-01-14
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1RX4
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BU of 1rx4 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, ...
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1S3W
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BU of 1s3w by Molmil
Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
分子名称: 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
登録日2004-01-14
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1RX5
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BU of 1rx5 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, DIHYDROFOLATE REDUCTASE
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX9
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BU of 1rx9 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
分子名称: BETA-MERCAPTOETHANOL, CALCIUM ION, DIHYDROFOLATE REDUCTASE, ...
著者Sawaya, M.R, Kraut, J.
登録日1996-10-25
公開日1997-04-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1S3U
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BU of 1s3u by Molmil
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
分子名称: (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
登録日2004-01-14
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
4DFR
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BU of 4dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J.
登録日1982-06-25
公開日1982-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
1RX2
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BU of 1rx2 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
分子名称: BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ...
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX3
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BU of 1rx3 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
分子名称: BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, MANGANESE (II) ION, ...
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
4DDR
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BU of 4ddr by Molmil
Human dihydrofolate reductase complexed with NADPH and P218
分子名称: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
登録日2012-01-19
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
4ELH
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Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, CALCIUM ION, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
1TDR
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BU of 1tdr by Molmil
EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE
分子名称: CALCIUM ION, CHLORIDE ION, METHOTREXATE, ...
著者Lewinski, K, Lebioda, L.
登録日1995-04-13
公開日1995-07-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Expression, characterization and crystallographic analysis of telluromethionyl dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 51, 1995
4FGH
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BU of 4fgh by Molmil
S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine inhibitor
分子名称: (2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-06-04
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.
Chemmedchem, 7, 2012
1VJ3
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STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE.
分子名称: ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G.
登録日2004-01-13
公開日2004-01-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000
4FHB
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BU of 4fhb by Molmil
Enhancing DHFR catalysis by binding of an allosteric regulator nanobody (Nb179)
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Oyen, D.
登録日2012-06-06
公開日2013-04-24
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
4FGG
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S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor
分子名称: (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-06-04
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.
Chemmedchem, 7, 2012
1U72
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Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrfolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH
分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2004-08-02
公開日2005-02-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH.
Acta Crystallogr.,Sect.D, 61, 2005
1VDR
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DIHYDROFOLATE REDUCTASE
分子名称: DIHYDROFOLATE REDUCTASE, PHOSPHATE ION
著者Pieper, U, Herzberg, O.
登録日1997-11-30
公開日1998-02-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural features of halophilicity derived from the crystal structure of dihydrofolate reductase from the Dead Sea halophilic archaeon, Haloferax volcanii.
Structure, 6, 1998

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