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

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7DFR	CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE 分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Bystroff, C, Oatley, S.J, Kraut, J. 登録日 1988-10-21 公開日 1990-07-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state. Biochemistry, 29, 1990
7D6G	Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... 著者 Wan, Q, Dealwis, C. 登録日 2020-09-30 公開日 2021-06-09 最終更新日 2024-04-03 実験手法 NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION 主引用文献 Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D4X	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0 分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wan, Q, Dealwis, C. 登録日 2020-09-24 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D4L	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0 分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... 著者 Wan, Q, Dealwis, C. 登録日 2020-09-24 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D49	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wan, Q, Dealwis, C. 登録日 2020-09-23 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.651 Å) 主引用文献 Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D3Z	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wan, Q, Dealwis, C. 登録日 2020-09-21 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7CTZ	Wild-type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 148, NADPH, and dUMP 分子名称: 1-[3-(trifluoromethyl)phenyl]urea, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... 著者 Vitsupakorn, D. 登録日 2020-08-20 公開日 2022-02-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
7CTY	Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP 分子名称: Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... 著者 Vanichtanankul, J, Vitsupakorn, D. 登録日 2020-08-20 公開日 2021-03-31 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
7CTW	Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP 分子名称: 1-(2-methylsulfanylphenyl)piperazine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Vanichtanankul, J, Vitsupakorn, D. 登録日 2020-08-20 公開日 2021-04-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
6XG5	X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim 分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... 著者 Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. 登録日 2020-06-16 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A trimethoprim derivative impedes antibiotic resistance evolution. Nat Commun, 12, 2021
6XG4	X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim 分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... 著者 Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. 登録日 2020-06-16 公開日 2021-03-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A trimethoprim derivative impedes antibiotic resistance evolution. Nat Commun, 12, 2021
6WEP	Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site 分子名称: Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Czyzyk, D.J, Ruiz, V.G, Kumar, V.P, Jorgensen, W.L, Anderson, K.S. 登録日 2020-04-02 公開日 2020-06-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitor Bioorg.Med.Chem.Lett., 30, 2020
6VVB	Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ... 著者 Tyrakis, P, Dias, M.V.B. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VV9	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 分子名称: 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VV8	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 分子名称: 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.683 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VV7	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 分子名称: 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.999 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VV6	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 分子名称: 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.235 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VSG	Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) 分子名称: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B. 登録日 2020-02-11 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.304 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VSF	Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) 分子名称: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B. 登録日 2020-02-11 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.012 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VSE	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(phenoxymethyl)benzoic acid(fragment 14) 分子名称: 3-(phenoxymethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B. 登録日 2020-02-11 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.758 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VSD	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-((thiophen-2-ylthio)methyl)benzoic acid (fragment 13) 分子名称: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B. 登録日 2020-02-11 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.693 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VS9	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11) 分子名称: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B. 登録日 2020-02-10 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.842 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VS8	Mycobacterium tuberculosis dihydrofolate reductase in complex with ethyl 2-methyl thiazole-4-carboxylate(fragment 3) 分子名称: COBALT (II) ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Ribeiro, J.A, Dias, M.V.B. 登録日 2020-02-10 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.829 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VS6	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (fragment 2) 分子名称: 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B. 登録日 2020-02-10 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.853 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VS5	Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) 分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. 登録日 2020-02-10 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.758 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020

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