5U27
 
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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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5UJF
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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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7DFR
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5UIP
 | | structure of DHFR with bound DAP, p-ABG and NADP | | Descriptor: | Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pedersen, L.C, London, R.E. | | Deposit date: | 2017-01-14 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
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2INQ
 | | Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate | | Descriptor: | Dihydrofolate reductase, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID | | Authors: | Bennett, B.C, Langan, P.A, Coates, L, Schoenborn, B, Dealwis, C.G. | | Deposit date: | 2006-10-08 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | NEUTRON DIFFRACTION (2.2 Å) | | Cite: | Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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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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7D49
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7D3Z
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7D4L
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7D4X
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7D6G
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2HM9
 | | Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures | | Descriptor: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase | | Authors: | Polshakov, V.I, Birdsall, B. | | Deposit date: | 2006-07-11 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structures of apo L.casei dihydrofolate reductase and its complexes with trimethoprim and NADPH. Contributions to positive cooperative binding from ligand-induced refolding, conformational changes and interligand hydrophobic interactions
Biochemistry, 2011
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2ITH
 | | NMR Structure of Haloferax volcanii DHFR | | Descriptor: | Dihydrofolate reductase | | Authors: | Binbuga, B. | | Deposit date: | 2006-10-19 | | Release date: | 2007-09-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure in an extreme environment: NMR at high salt.
Protein Sci., 16, 2007
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2FZI
 | | New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives | | Descriptor: | 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Pace, J, Chisum, K, Rosowsky, A. | | Deposit date: | 2006-02-09 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Proteins, 65, 2006
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4TU5
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2JYB
 | | binary hvDHFR1:folate complex | | Descriptor: | Dihydrofolate reductase | | Authors: | Boroujerdi, A.A.F.B, Young, J.K. | | Deposit date: | 2007-12-10 | | Release date: | 2008-10-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR-derived folate-bound structure of dihydrofolate reductase 1 from the halophile Haloferax volcanii.
Biopolymers, 91, 2009
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2QK8
 | | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, METHOTREXATE | | Authors: | Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G. | | Deposit date: | 2007-07-10 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase.
J.Med.Chem., 50, 2007
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2W3W
 | | MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR M. AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686) | | Descriptor: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | | Deposit date: | 2008-11-16 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
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2W9G
 | | Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim | | Descriptor: | DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | | Authors: | Soutter, H.H, Miller, J.R. | | Deposit date: | 2009-01-23 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim.
Proteins, 76, 2009
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2W3M
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2W3V
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