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PDB: 102 件
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
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
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
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
3D84
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BU of 3d84 by Molmil
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex with the Potent and Selective Inhibitor 2.4-Diamino-6-(-2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
分子名称: Dihydrofolate reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2008-05-22
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
3F8Z
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BU of 3f8z by Molmil
Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes
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, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2008-11-13
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
3D80
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BU of 3d80 by Molmil
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex wtih the Potent and Selective Inhibitor 2,4-Diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
分子名称: (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol, Dihydrofolate reductase, GLYCEROL, ...
著者Cody, V.
登録日2008-05-22
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
3F91
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Structural Data for Human Active Site Mutant Enzyme Complexes
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, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2008-11-13
公開日2009-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
3F8Y
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BU of 3f8y by Molmil
Correlations of Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes
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, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2008-11-13
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
3FS6
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BU of 3fs6 by Molmil
Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes
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, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2009-01-09
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
5HT4
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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
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
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
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
1U71
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BU of 1u71 by Molmil
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
分子名称: 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, SULFATE ION
著者Cody, V, Luft, J.R, Pangborn, W.
登録日2004-08-02
公開日2005-02-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 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
1U70
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BU of 1u70 by Molmil
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase
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 (2.5 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
1U72
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BU of 1u72 by Molmil
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
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
1S3V
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BU of 1s3v 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
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
1S3Y
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BU of 1s3y 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: 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
1DAJ
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BU of 1daj by Molmil
COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE
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, Gangjee, A, Devraj, R, Queener, S.F, Blakley, R.L.
登録日1997-07-29
公開日1997-12-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate.
Acta Crystallogr.,Sect.D, 53, 1997
3NXR
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BU of 3nxr by Molmil
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
分子名称: 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2010-07-14
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
3NXX
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Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
分子名称: 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2010-07-14
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
3NZD
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Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five 5-(omega-carboxy(alkyloxy(pyrido[2,3-d]pyrimidine Derivatives
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate
著者Cody, V.
登録日2010-07-16
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of Pneumocystis carinii and human DHFR complexes with NADPH and a series of five potent 6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives
Acta Crystallogr.,Sect.D, 67, 2011

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