1M79
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![BU of 1m79 by Molmil](/molmil-images/mine/1m79) | Candida albicans Dihydrofolate Reductase Complexed with Dihydro-Nicotinamide-Adenine-Dinucleotide Phosphate (NADPH) and 5-(4-methoxyphenoxy)-2,4-quinazolinediamine (GW1466) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2002-07-19 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex J.Biol.Chem., 272, 1997
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7RZO
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![BU of 7rzo by Molmil](/molmil-images/mine/7rzo) | |
4ELH
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![BU of 4elh by Molmil](/molmil-images/mine/4elh) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, CALCIUM ION, ... | Authors: | Bourne, C.R, Barrow, W.W. | Deposit date: | 2012-04-10 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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4ELE
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![BU of 4ele by Molmil](/molmil-images/mine/4ele) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bourne, C.R, Barrow, W.W. | Deposit date: | 2012-04-10 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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3SRU
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![BU of 3sru by Molmil](/molmil-images/mine/3sru) | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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3TD8
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![BU of 3td8 by Molmil](/molmil-images/mine/3td8) | Structural Analysis of Pneumocystis carinii Dihydrofolate Reductase Complex with NADPH and 2,4-diamino-5-methyl-6-[2'-(4-carboxy-1-pentynyl)-5'-methoxybenzyl]pyrido[2,3-d]pyrimidine | Descriptor: | 6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Pace, J, Stewart, E. | Deposit date: | 2011-08-10 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of Pneumocystis cariniidihydrofolate reductase complexed with NADPH and 2,4-diamino-6-[2-(5-carboxypent-1-yn-1-yl)-5-methoxybenzyl]-5-methylpyrido[2,3-d]pyrimidine. Acta Crystallogr.,Sect.F, 68, 2012
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3SRR
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![BU of 3srr by Molmil](/molmil-images/mine/3srr) | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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3SQY
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![BU of 3sqy by Molmil](/molmil-images/mine/3sqy) | |
3SR5
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![BU of 3sr5 by Molmil](/molmil-images/mine/3sr5) | |
3SRW
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![BU of 3srw by Molmil](/molmil-images/mine/3srw) | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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5ECC
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![BU of 5ecc by Molmil](/molmil-images/mine/5ecc) | Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-yn-1-yl)pyrimidine-2,4-diamine | Descriptor: | 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dehydrofolate reductase type I, ... | Authors: | Lombardo, M.N, Anderson, A.C. | Deposit date: | 2015-10-20 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates. ACS Infect Dis, 2, 2016
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5ECX
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![BU of 5ecx by Molmil](/molmil-images/mine/5ecx) | Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(6-(pyridin-4-yl)benzo[d][1,3]dioxol-4-yl)but-1-yn-1-yl)pyrimidine-2,4-diamine | Descriptor: | 6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine, Dehydrofolate reductase type I, GLYCEROL, ... | Authors: | Lombardo, M.N, Anderson, A.C. | Deposit date: | 2015-10-20 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates. ACS Infect Dis, 2, 2016
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5DFR
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![BU of 5dfr by Molmil](/molmil-images/mine/5dfr) | |
5E8Q
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![BU of 5e8q by Molmil](/molmil-images/mine/5e8q) | |
5EAJ
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![BU of 5eaj by Molmil](/molmil-images/mine/5eaj) | Crystal structure of DHFR in 0% Isopropanol | Descriptor: | CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cuneo, M.J, Agarwal, P.K. | Deposit date: | 2015-10-16 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Modulating Enzyme Activity by Altering Protein Dynamics with Solvent. Biochemistry, 57, 2018
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5FDA
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![BU of 5fda by Molmil](/molmil-images/mine/5fda) | The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A | Descriptor: | CHLORIDE ION, Dihydrofolate reductase | Authors: | Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-15 | Release date: | 2015-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | structure of dihydrofolate reductase from Yersinia pestis complex with To Be Published
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1MVT
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![BU of 1mvt by Molmil](/molmil-images/mine/1mvt) | Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | Deposit date: | 2002-09-26 | Release date: | 2003-04-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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1MVS
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![BU of 1mvs by Molmil](/molmil-images/mine/1mvs) | Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | Deposit date: | 2002-09-26 | Release date: | 2003-04-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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4X5H
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![BU of 4x5h by Molmil](/molmil-images/mine/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
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![BU of 4x5g by Molmil](/molmil-images/mine/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
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![BU of 4x5j by Molmil](/molmil-images/mine/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
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![BU of 4x5i by Molmil](/molmil-images/mine/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
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![BU of 4x5f by Molmil](/molmil-images/mine/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
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![BU of 4xec by Molmil](/molmil-images/mine/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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4XE6
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![BU of 4xe6 by Molmil](/molmil-images/mine/4xe6) | |