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8G50
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BU of 8g50 by Molmil
E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R.
登録日2023-02-10
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
To Be Published
3DRC
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BU of 3drc by Molmil
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Oatley, S.J, Kraut, J.
登録日1992-09-22
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Investigation of the functional role of tryptophan-22 in Escherichia coli dihydrofolate reductase by site-directed mutagenesis.
Biochemistry, 30, 1991
6XG4
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BU of 6xg4 by Molmil
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
6XG5
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BU of 6xg5 by Molmil
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
5UIO
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BU of 5uio by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
分子名称: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FORMIC ACID, ...
著者Pedersen, L.C, London, R.E.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
8A0Z
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BU of 8a0z by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, ...
著者Kirkman, T.K, Dias, M.V.B.
登録日2022-05-30
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of candida auris
To Be Published
7ZZX
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BU of 7zzx by Molmil
Crystal structure of Candida auris DHFR in apo form
分子名称: Dihydrofolate reductase
著者Kirkman, T.J, Dias, M.V.B.
登録日2022-05-26
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
8A0N
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BU of 8a0n by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH
分子名称: 1,2-ETHANEDIOL, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Kirkman, T.K, Dias, M.V.B.
登録日2022-05-29
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of candida auris dihydrofolate reductase
To Be Published
5W3Q
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BU of 5w3q by Molmil
L28F E.coli DHFR in complex with NADPH
分子名称: CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oyen, D, Wright, P.E, Wilson, I.A.
登録日2017-06-08
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion.
J. Am. Chem. Soc., 139, 2017
4QJZ
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BU of 4qjz by Molmil
Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE)
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
著者Cody, V.
登録日2014-06-05
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4QHV
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BU of 4qhv by Molmil
Crystal structure of human dihydrofolate reductase as complex with pyridopyrimidine 22 (N~6~-METHYL-N~6~-[4-(PROPAN-2-YL)PHENYL]PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE)
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine, ...
著者Cody, V.
登録日2014-05-29
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4QI9
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BU of 4qi9 by Molmil
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
分子名称: Dihydrofolate reductase, METHOTREXATE
著者Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-05-30
公開日2014-07-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
To be Published
4QJC
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BU of 4qjc by Molmil
Human dihydrofolate reductase ternary complex with NADPH and inhibitor 26 (N~6~-METHYL-N~6~-(3,4,5-TRIFLUOROPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE)
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
著者Cody, V.
登録日2014-06-03
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr F Struct Biol Commun, 71, 2015
8CRH
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BU of 8crh by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil
分子名称: 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Kirkman, T.J, Dias, M.V.B.
登録日2023-03-08
公開日2023-08-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
5UIP
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BU of 5uip by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
分子名称: Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pedersen, L.C, London, R.E.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
5UIH
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BU of 5uih by Molmil
structure of DHFR with bound phenformin and NADP
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Dihydrofolate reductase, ...
著者Pedersen, L.C, London, R.E.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.647 Å)
主引用文献A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
7L9T
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BU of 7l9t by Molmil
Crystal Structure of Dihydrofolate reductase from Mycolicibacterium smegmatis in complex with SDDC-0001565 inhibitor
分子名称: 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, DIMETHYL SULFOXIDE, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-05
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Acetyl-coenzyme A synthetase synthetase from Coccidioides immitis in complex with PRX
to be published
2KGK
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BU of 2kgk by Molmil
Solution structure of Bacillus anthracis dihydrofolate reductase
分子名称: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Deshmukh, L, Vinogradova, O, Beierlein, J.M, Frey, K.M, Anderson, A.C.
登録日2009-03-12
公開日2009-05-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of Bacillus anthracis dihydrofolate reductase yields insight into the analysis of structure-activity relationships for novel inhibitors.
Biochemistry, 48, 2009
7LVC
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BU of 7lvc by Molmil
E. coli DHFR by Native Mn,P,S-SAD at Room Temperature
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Hekstra, D.R.
登録日2021-02-24
公開日2021-03-17
最終更新日2022-08-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
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
8SSX
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BU of 8ssx by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
分子名称: 1,2-ETHANEDIOL, Dihydrofolate reductase, SULFATE ION
著者Shaw, G.X, Li, Y, Wu, Y, Yan, H, Ji, X.
登録日2023-05-09
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
To be published
8SZE
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BU of 8sze by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase, ...
著者Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-05-29
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
To be published
8SZD
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BU of 8szd by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
分子名称: CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ...
著者Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-05-29
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
分子名称: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
著者Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
登録日2021-06-16
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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

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