2C2S
 
 | | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate | | 分子名称: | 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | | 著者 | Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W. | | 登録日 | 2005-09-29 | | 公開日 | 2007-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
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2BLB
 | | X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, ... | | 著者 | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | | 登録日 | 2005-03-03 | | 公開日 | 2005-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance.
Proc.Natl.Acad.Sci.USA, 102, 2005
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2CIG
 | | 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
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2FZI
 | | 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
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2FZH
 | | 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
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2FZJ
 | | 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
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2D0K
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2DHF
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6CXM
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6CYV
 | | E. coli DHFR ternary complex with NADP and dihydrofolate | | 分子名称: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-04-06 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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6CXK
 | | E. coli DHFR substrate complex with Dihydrofolate | | 分子名称: | CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-04-03 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.108 Å) | | 主引用文献 | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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6DAV
 | | Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate | | 分子名称: | 1,2-ETHANEDIOL, Dihydrofolate reductase, N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid, ... | | 著者 | Mayclin, S.J, Dranow, D.M, Lorimer, D.D. | | 登録日 | 2018-05-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate
to be published
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1JUV
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1JOL
 | | THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE | | 分子名称: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | | 著者 | Lee, H, Reyes, V.M, Kraut, J. | | 登録日 | 1996-02-25 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
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1JOM
 | | THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE | | 分子名称: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | | 著者 | Reyes, V.M, Lee, H, Kraut, J. | | 登録日 | 1996-02-25 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
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6DFR
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6DE4
 | | Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | | 分子名称: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hajian, B, Wright, D. | | 登録日 | 2018-05-11 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.411 Å) | | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
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6DDS
 | | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid | | 分子名称: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ... | | 著者 | Hajian, B, Wright, D, Scocchera, E. | | 登録日 | 2018-05-10 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
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6DTC
 | | Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor | | 分子名称: | (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Bensen, D.C, Fortier, J.M, Akers-Rodriguez, S, Tari, L.W. | | 登録日 | 2018-06-15 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Prospecting for broad-spectrum inhibitors of fungal dihydrofolate reductase using a structure guided approach.
To be published
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6DDP
 | | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid | | 分子名称: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Hajian, B, Wright, D. | | 登録日 | 2018-05-10 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
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1M78
 | | 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
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1LY3
 | | 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
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1M79
 | | 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
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1LY4
 | | 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
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6VCJ
 | | Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen | | 分子名称: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, Dihydrofolate reductase, FOLIC ACID, ... | | 著者 | Pedersen, L.C, London, R.E, Gabel, S.A, Krahn, J.M, DeRose, E.F. | | 登録日 | 2019-12-21 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.
J.Med.Chem., 63, 2020
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