7REG
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![BU of 7reg by Molmil](/molmil-images/mine/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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2JYB
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![BU of 2jyb by Molmil](/molmil-images/mine/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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2W3V
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7RZO
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2ITH
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![BU of 2ith by Molmil](/molmil-images/mine/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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2W9T
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![BU of 2w9t by Molmil](/molmil-images/mine/2w9t) | Staphylococcus aureus S1:DHFR | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 | Authors: | Soutter, H.H, Miller, J.R. | Deposit date: | 2009-01-28 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 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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2W3B
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![BU of 2w3b by Molmil](/molmil-images/mine/2w3b) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR MYCOBACTERIUM 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, FOLIC ACID, ... | Authors: | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | Deposit date: | 2008-11-11 | Release date: | 2009-11-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate To be Published
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7T7S
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![BU of 7t7s by Molmil](/molmil-images/mine/7t7s) | R-27 in Complex with S. aureus DHFR and tricyclic-NADPH (tNADPH) | 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, Wang, S, Donald, B.R, Wright, D.L. | Deposit date: | 2021-12-15 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus. Plos Comput.Biol., 18, 2022
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7T7Q
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![BU of 7t7q by Molmil](/molmil-images/mine/7t7q) | R-27 In Complex with S. aureus DHFR and alpha-NADPH - Remediated for comparison with tNADPH | 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, Wang, S, Donald, B.R, Wright, D.L. | Deposit date: | 2021-12-15 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus. Plos Comput.Biol., 18, 2022
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2W3M
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2W3A
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2W9G
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![BU of 2w9g by Molmil](/molmil-images/mine/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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2W9H
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8CRH
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![BU of 8crh by Molmil](/molmil-images/mine/8crh) | Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil | Descriptor: | 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Kirkman, T.J, Dias, M.V.B. | Deposit date: | 2023-03-08 | Release date: | 2023-08-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris. Acta Crystallogr D Struct Biol, 79, 2023
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2INQ
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![BU of 2inq by Molmil](/molmil-images/mine/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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2HM9
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![BU of 2hm9 by Molmil](/molmil-images/mine/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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2W9S
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![BU of 2w9s by Molmil](/molmil-images/mine/2w9s) | Staphylococcus aureus S1:DHFR in complex with trimethoprim | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Soutter, H.H, Miller, J.R. | Deposit date: | 2009-01-28 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 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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8COW
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![BU of 8cow by Molmil](/molmil-images/mine/8cow) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine | Descriptor: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | Deposit date: | 2023-03-01 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Currently unpublished To Be Published
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8COX
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8CQ8
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8CQ9
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![BU of 8cq9 by Molmil](/molmil-images/mine/8cq9) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | Deposit date: | 2023-03-04 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
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8CQA
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8COP
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8COQ
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8DFR
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![BU of 8dfr by Molmil](/molmil-images/mine/8dfr) | REFINED CRYSTAL STRUCTURES OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE. 3 ANGSTROMS APO-ENZYME AND 1.7 ANGSTROMS NADPH HOLO-ENZYME COMPLEX | Descriptor: | CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Matthews, D.A, Oatley, S.J, Burridge, J, Kaufman, B.T, Xuong, N.-H, Kraut, J. | Deposit date: | 1989-05-30 | Release date: | 1989-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Refined Crystal Structures of Chicken Liver Dihydrofolate Reductase. 3 Angstroms Apo-Enzyme and 1.7 Angstroms Nadph Holo-Enzyme Complex To be Published
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