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2DRC
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BU of 2drc by Molmil
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Brown, K.A, Kraut, J.
登録日1992-06-10
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Investigation of the functional role of tryptophan-22 in Escherichia coli dihydrofolate reductase by site-directed mutagenesis.
Biochemistry, 30, 1991
1HFR
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BU of 1hfr by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
分子名称: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
登録日1997-11-04
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
2CIG
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Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid.
分子名称: (4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者Argyrou, A, Vetting, M.W, Aladegbami, B, Blanchard, J.S.
登録日2006-03-20
公開日2006-04-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mycobacterium Tuberculosis Dihydrofolate Reductase is a Target for Isoniazid
Nat.Struct.Mol.Biol., 13, 2006
1HFQ
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COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
分子名称: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
登録日1997-11-04
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1IA4
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Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2001-03-22
公開日2001-04-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
1IA3
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Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2001-03-22
公開日2001-04-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
2FZH
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New Insights into Dihydrofolate Reductase Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives
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, Chisum, K, Rosowsky, A.
登録日2006-02-09
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Proteins, 65, 2006
2FZI
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New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives
分子名称: 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Pace, J, Chisum, K, Rosowsky, A.
登録日2006-02-09
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Proteins, 65, 2006
2FZJ
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New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives
分子名称: 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Pace, J, Chisum, K, Rosowsky, A.
登録日2006-02-09
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Proteins, 65, 2006
1IA1
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BU of 1ia1 by Molmil
Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997)
分子名称: 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2001-03-22
公開日2001-04-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
1IA2
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Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2001-03-22
公開日2001-04-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
2D0K
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Methionine-free mutant of Escherichia coli dihydrofolate reductase
分子名称: CHLORIDE ION, Dihydrofolate reductase, FOLIC ACID
著者Katayanagi, K.
登録日2005-08-04
公開日2006-02-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolutional Design of a Hyperactive Cysteine- and Methionine-free Mutant of Escherichia coli Dihydrofolate Reductase
J.Biol.Chem., 281, 2006
2DHF
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CRYSTAL STRUCTURES OF RECOMBINANT HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 5-DEAZOFOLATE
分子名称: 5-DEAZAFOLIC ACID, DIHYDROFOLATE REDUCTASE
著者Davies /II, J.F, Kraut, J.
登録日1989-10-25
公開日1990-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate.
Biochemistry, 29, 1990
2HM9
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Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures
分子名称: 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase
著者Polshakov, V.I, Birdsall, B.
登録日2006-07-11
公開日2007-06-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR structures of apo L.casei dihydrofolate reductase and its complexes with trimethoprim and NADPH. Contributions to positive cooperative binding from ligand-induced refolding, conformational changes and interligand hydrophobic interactions
Biochemistry, 2011
2HQP
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Solution structure of L.casei dihydrofolate reductase complexed with NADPH, 32 structures
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Polshakov, V.I, Birdsall, B.
登録日2006-07-19
公開日2007-06-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural insights into cooperative effects of ligand binding to L. casei dihydrofolate redutase
TO BE PUBLISHED
1LY3
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ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE
分子名称: 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
登録日2002-06-06
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
1M79
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Candida albicans Dihydrofolate Reductase Complexed with Dihydro-Nicotinamide-Adenine-Dinucleotide Phosphate (NADPH) and 5-(4-methoxyphenoxy)-2,4-quinazolinediamine (GW1466)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2002-07-19
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex
J.Biol.Chem., 272, 1997
1YHO
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Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25 structures
分子名称: 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Polshakov, V.I, Birdsall, B.
登録日2005-01-10
公開日2005-11-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of human dihydrofolate reductase in its complex with trimethoprim and NADPH.
J.Biomol.Nmr, 33, 2005
1MVT
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Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase
分子名称: 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A.
登録日2002-09-26
公開日2003-04-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1LY4
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Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase
分子名称: 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
登録日2002-06-06
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
1MVS
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Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase
分子名称: 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A.
登録日2002-09-26
公開日2003-04-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1M78
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225)
分子名称: 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2002-07-19
公開日2003-03-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
1M7A
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f] quinazoline-1,3-diamine (GW557)
分子名称: 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2002-07-19
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
2ANQ
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Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a.
分子名称: (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ...
著者Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S.
登録日2005-08-11
公開日2006-07-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
J.Med.Chem., 49, 2006
1LUD
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SOLUTION STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH TRIMETHOPRIM AND NADPH, 24 STRUCTURES
分子名称: 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Polshakov, V.I, Smirnov, E.G, Birdsall, B, Kelly, G, Feeney, J.
登録日2002-05-22
公開日2002-12-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR-based solution structure of the complex of Lactobacillus casei dihydrofolate reductase with trimethoprim and NADPH
J.Biomol.Nmr, 24, 2002

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