PDB: 614 件ウェブページステータス検索Chemie searchBIRD

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3UM5	Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... 著者 Vanichtanankul, J, Kamchonwongpaisan, S, Chitnumsub, P, Yuthavong, Y. 登録日 2011-11-12 公開日 2012-07-18 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil. Antimicrob.Agents Chemother., 56, 2012
3TQB	Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with folate 分子名称: Dihydrofolate reductase, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. 登録日 2011-09-09 公開日 2011-11-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
3TQA	Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with NADPH 分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. 登録日 2011-09-09 公開日 2011-11-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
3TQ9	Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with methotrexate 分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. 登録日 2011-09-09 公開日 2011-11-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
3TQ8	Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim 分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM 著者 Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. 登録日 2011-09-09 公開日 2011-11-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
3TD8	Structural Analysis of Pneumocystis carinii Dihydrofolate Reductase Complex with NADPH and 2,4-diamino-5-methyl-6-[2'-(4-carboxy-1-pentynyl)-5'-methoxybenzyl]pyrido[2,3-d]pyrimidine 分子名称: 6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Cody, V, Pace, J, Stewart, E. 登録日 2011-08-10 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural analysis of Pneumocystis cariniidihydrofolate reductase complexed with NADPH and 2,4-diamino-6-[2-(5-carboxypent-1-yn-1-yl)-5-methoxybenzyl]-5-methylpyrido[2,3-d]pyrimidine. Acta Crystallogr.,Sect.F, 68, 2012
3SRW	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SRU	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SRS	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SRR	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SRQ	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SR5	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-06 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SQY	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(2-methoxyphenyl)quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-06 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SH2	Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine (UCP120J) 分子名称: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Frey, K.M, Anderson, A.C. 登録日 2011-06-15 公開日 2012-03-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.999 Å) 主引用文献 Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes. Plos One, 7, 2012
3SGY	Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006) 分子名称: 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Frey, K.M, Anderson, A.C. 登録日 2011-06-15 公開日 2012-03-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.598 Å) 主引用文献 Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes. Plos One, 7, 2012
3SAI	Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015 分子名称: 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, DI(HYDROXYETHYL)ETHER, Dihydrofolate reductase, ... 著者 Anderson, A.C, Beierlein, J.M. 登録日 2011-06-02 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 SAR studies of heterocyclic propargyl-linked TMP analogs targeting Bacillus dihydrofolate reductase To be Published
3SA2	Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014 分子名称: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Anderson, A.C, Beierlein, J.M. 登録日 2011-06-02 公開日 2012-06-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase to be published
3SA1	Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1021 分子名称: 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Anderson, A.C, Beierlein, J.M. 登録日 2011-06-02 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase to be published
3S9U	Bacillus anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP120J 分子名称: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Anderson, A.C, Beierlein, J.M. 登録日 2011-06-02 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-Activity Studies of Heterocyclic Propargyl-linked TMP Analogs Targeting Bacillus anthracis Dihydrofolate Reductase To be Published
3S7A	Human dihydrofolate reductase binary complex with PT684 分子名称: 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid, Dihydrofolate reductase, SULFATE ION 著者 Cody, V, Pace, J, Nowak, J. 登録日 2011-05-26 公開日 2011-10-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural analysis of human dihydrofolate reductase as a binary complex with the potent and selective inhibitor 2,4-diamino-6-{2'-O-(3-carboxypropyl)oxydibenz[b,f]-azepin-5-yl}methylpteridine reveals an unusual binding mode. Acta Crystallogr.,Sect.D, 67, 2011
3S3V	human dihydrofolate reductase Q35K/N64F double mutant binary complex with trimethoprim 分子名称: Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM 著者 Cody, V, Pace, J, Piraino, J, Queener, S.F. 登録日 2011-05-18 公開日 2011-09-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.53 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
3ROA	Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004) 分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Paulsen, J.L, Anderson, A.C. 登録日 2011-04-25 公開日 2012-05-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.301 Å) 主引用文献 Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
3RO9	Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) 分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Strain CBS138 chromosome J complete sequence 著者 Paulsen, J.L, Anderson, A.C. 登録日 2011-04-25 公開日 2012-05-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.596 Å) 主引用文献 Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
3RG9	Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210 分子名称: 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Vanichtanankul, J, Yuvaniyama, J, Yuthavong, Y. 登録日 2011-04-08 公開日 2011-06-29 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Trypanosomal dihydrofolate reductase reveals natural antifolate resistance Acs Chem.Biol., 6, 2011
3R33	Evidence for dynamic motion in proteins as a mechanism for ligand dissociation 分子名称: (6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, CALCIUM ION, CHLORIDE ION, ... 著者 Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F. 登録日 2011-03-15 公開日 2012-01-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Evidence for dynamics in proteins as a mechanism for ligand dissociation. Nat.Chem.Biol., 8, 2012

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