3OAF
| Structural and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii, Pneumocystis carinii and Human Dihydrofolate Reductase and Thier Active Site Mutants | 分子名称: | 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | 著者 | Cody, V. | 登録日 | 2010-08-05 | 公開日 | 2011-08-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Kinetic and structural analysis for potent antifolate inhibition of Pneumocystis jirovecii, Pneumocystis carinii, and human dihydrofolate reductases and their active-site variants. Antimicrob.Agents Chemother., 57, 2013
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3NXO
| 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-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-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
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3NXV
| 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)hex-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 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 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
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3NXY
| Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro 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,3R)-2-(2-methoxyphenyl)-3-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 (1.9 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
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3NXT
| 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[2m,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]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 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 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
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3NTZ
| Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | 分子名称: | Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-06 | 公開日 | 2011-05-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 19, 2011
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3NU0
| Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | 分子名称: | (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-06 | 公開日 | 2011-05-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 19, 2011
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3N1S
| Crystal structure of wild type ecHint GMP complex | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, HIT-like protein hinT | 著者 | Cody, V. | 登録日 | 2010-05-17 | 公開日 | 2010-10-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Probing the Impact of the echinT C-Terminal Domain on Structure and Catalysis. J.Mol.Biol., 404, 2010
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3NZC
| Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-carboxy(alkyloxy)pyrido[2,3-d]pyridine Derivativea | 分子名称: | 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | 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 (2 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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3NZ6
| Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-Carboxy(alkyloxy)Pyrido[2,3-d]pyrimidine Derivatives | 分子名称: | 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 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 (2 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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3NZA
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3NZ9
| Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-Carboxy(alkyloxy)Pyrido[2,3-d]pyrimidine Derivatives | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate | 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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3OCH
| Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic | 分子名称: | (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name), CHLORIDE ION, Dihydrofolate reductase, ... | 著者 | Cody, V. | 登録日 | 2010-08-10 | 公開日 | 2010-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Chemically Self-Assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic. J.Am.Chem.Soc., 132, 2010
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3N1T
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3NZB
| Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Potent 5-(omega-carboxyl(alkyloxy)pyrido[2,-d]pyrimidine Derivatives | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate | 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 (1.45 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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3N0H
| hDHFR double mutant Q35S/N64F Trimethoprim Binary Complex | 分子名称: | Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM | 著者 | Cody, V. | 登録日 | 2010-05-14 | 公開日 | 2011-09-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Crystallographic analysis reveals a novel second binding site for trimethoprim in active site double mutants of human dihydrofolate reductase. J.Struct.Biol., 176, 2011
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1Z7J
| Human transthyretin (also called prealbumin) complex with 3, 3',5,5'-tetraiodothyroacetic acid (t4ac) | 分子名称: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Transthyretin | 著者 | Neumann, P, Wojtczak, A, Cody, V. | 登録日 | 2005-03-25 | 公開日 | 2005-06-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Ligand binding at the transthyretin dimer-dimer interface: structure of the transthyretin-T4Ac complex at 2.2 Angstrom resolution. Acta Crystallogr.,Sect.D, 61, 2005
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2ROY
| TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH 3',5'-DINITRO-N-ACETYL-L-THYRONINE | 分子名称: | 3',5'-DINITRO-N-ACETYL-L-THYRONINE, TRANSTHYRETIN | 著者 | Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W. | 登録日 | 1996-10-23 | 公開日 | 1997-04-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
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2ROX
| TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH THYROXINE (T4) | 分子名称: | 3,5,3',5'-TETRAIODO-L-THYRONINE, SULFATE ION, TRANSTHYRETIN | 著者 | Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W. | 登録日 | 1996-10-23 | 公開日 | 1997-04-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
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1KGJ
| Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388) | 分子名称: | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN | 著者 | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | 登録日 | 2001-11-27 | 公開日 | 2002-11-27 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Comparison of binding interactions of dibromoflavonoids with transthyretin. Acta Biochim.Pol., 48, 2001
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1KGI
| Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac) | 分子名称: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN | 著者 | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | 登録日 | 2001-11-27 | 公開日 | 2002-11-27 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution. Acta Biochim.Pol., 48, 2001
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1ICT
| MONOCLINIC FORM OF HUMAN TRANSTHYRETIN COMPLEXED WITH THYROXINE (T4) | 分子名称: | 3,5,3',5'-TETRAIODO-L-THYRONINE, TRANSTHYRETIN | 著者 | Wojtczak, A, Neumann, P, Cody, V. | 登録日 | 2001-04-02 | 公開日 | 2002-04-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of a new polymorphic monoclinic form of human transthyretin at 3 A resolution reveals a mixed complex between unliganded and T4-bound tetramers of TTR. Acta Crystallogr.,Sect.D, 57, 2001
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1TLM
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1BOZ
| STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | 分子名称: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | 著者 | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | 登録日 | 1998-08-06 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J.Med.Chem., 41, 1998
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1THC
| CRYSTAL STRUCTURE DETERMINATION AT 2.3A OF HUMAN TRANSTHYRETIN-3',5'-DIBROMO-2',4,4',6-TETRA-HYDROXYAURONE COMPLEX | 分子名称: | 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE, TRANSTHYRETIN | 著者 | Ciszak, E, Cody, V, Luft, J.R. | 登録日 | 1992-04-20 | 公開日 | 1993-07-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure determination at 2.3-A resolution of human transthyretin-3',5'-dibromo-2',4,4',6-tetrahydroxyaurone complex. Proc.Natl.Acad.Sci.USA, 89, 1992
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