1TDR
 
 | | EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE | | Descriptor: | CALCIUM ION, CHLORIDE ION, METHOTREXATE, ... | | Authors: | Lewinski, K, Lebioda, L. | | Deposit date: | 1995-04-13 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Expression, characterization and crystallographic analysis of telluromethionyl dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 51, 1995
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4X5H
 | | ecDHFR complexed with folate and NADP+ at 500 MPa | | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Yamada, H, Watanabe, N, Nagae, T. | | Deposit date: | 2014-12-05 | | Release date: | 2016-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
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4X5G
 | | ecDHFR complexed with folate and NADP+ at 270 MPa | | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Yamada, H, Watanabe, N, Nagae, T. | | Deposit date: | 2014-12-05 | | Release date: | 2016-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
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4X5J
 | | ecDHFR complexed with folate and NADP+ at 750 MPa | | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Yamada, H, Watanabe, N, Nagae, T. | | Deposit date: | 2014-12-05 | | Release date: | 2016-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
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4X5I
 | | ecDHFR complexed with folate and NADP+ at 660 MPa | | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Yamada, H, Watanabe, N, Nagae, T. | | Deposit date: | 2014-12-05 | | Release date: | 2016-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
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4X5F
 | | ecDHFR complexed with folate and NADP+ at 0.1 MPa | | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Yamada, H, Watanabe, N, Nagae, T. | | Deposit date: | 2014-12-05 | | Release date: | 2016-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
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4XEC
 | | Staphylococcus aureus 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 (UCP1061) | | Descriptor: | 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, Dihydrofolate reductase, ... | | Authors: | Reeve, S.M, Anderson, A.C. | | Deposit date: | 2014-12-23 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Nonracemic Antifolates Stereoselectively Recruit Alternate Cofactors and Overcome Resistance in S. aureus.
J.Am.Chem.Soc., 137, 2015
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7RGK
 | | DfrA5 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase type 5, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7RGO
 | | DfrA5 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | | Descriptor: | 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase type 5, GLYCEROL, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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4XE6
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7RGJ
 | | DfrA1 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, CALCIUM ION, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7R6G
 | | Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH | | Descriptor: | Dihydrofolate reductase type 5, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Estrada, A, Wright, D, Krucinska, J, Erlandsen, H. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7REB
 | | E. coli dihydrofolate reductase complexed with 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7REG
 | | DfrA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | | Descriptor: | 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, CALCIUM ION, Dihydrofolate reductase type 1, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7RZO
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4NX7
 | | single cryogenic temperature model of DHFR | | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Fenwick, R.B, van den Bedem, H, Fraser, J.S, Wright, P.E. | | Deposit date: | 2013-12-08 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4NX6
 | | single room temperature model of DHFR | | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Fenwick, R.B, van den Bedem, H, Fraser, J.S, Wright, P.E. | | Deposit date: | 2013-12-08 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4PDJ
 | | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | | Deposit date: | 2014-04-18 | | Release date: | 2015-04-15 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4P68
 | | Electrostatics of Active Site Microenvironments for E. coli DHFR | | Descriptor: | ACETATE ION, CALCIUM ION, Dihydrofolate reductase, ... | | Authors: | Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2014-03-22 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
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4P66
 | | Electrostatics of Active Site Microenvironments of E. coli DHFR | | Descriptor: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | | Authors: | Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2014-03-21 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
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4QJZ
 | | 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) | | Descriptor: | 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 | | Authors: | Cody, V. | | Deposit date: | 2014-06-05 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | 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
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4QHV
 | | 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) | | Descriptor: | 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, ... | | Authors: | Cody, V. | | Deposit date: | 2014-05-29 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | 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
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4QI9
 | | Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate | | Descriptor: | Dihydrofolate reductase, METHOTREXATE | | Authors: | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-05-30 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
To be Published
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4QJC
 | | 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) | | Descriptor: | 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 | | Authors: | Cody, V. | | Deposit date: | 2014-06-03 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | 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
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1HFP
 | | COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | | Deposit date: | 1997-11-04 | | Release date: | 1998-01-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
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