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PDB: 631 results

2KGK
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BU of 2kgk by Molmil
Solution structure of Bacillus anthracis dihydrofolate reductase
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Deshmukh, L, Vinogradova, O, Beierlein, J.M, Frey, K.M, Anderson, A.C.
Deposit date:2009-03-12
Release date:2009-05-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of Bacillus anthracis dihydrofolate reductase yields insight into the analysis of structure-activity relationships for novel inhibitors.
Biochemistry, 48, 2009
4TU5
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BU of 4tu5 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1062)
Descriptor: 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Reeve, S.M, Anderson, A.C.
Deposit date:2014-06-23
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.161 Å)
Cite:Nonracemic Antifolates Stereoselectively Recruit Alternate Cofactors and Overcome Resistance in S. aureus.
J.Am.Chem.Soc., 137, 2015
2ZZA
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BU of 2zza by Molmil
Moritella profunda Dihydrofolate reductase complex with NADP+ and Folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hata, K, Tanaka, T, Murakami, C, Ohmae, E, Gekko, K, Shiro, Y, Akasaka, K.
Deposit date:2009-02-06
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Moritella profunda Dihydrofolate reductase complex with NADP+ and Folate
To be Published
6RUM
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BU of 6rum by Molmil
Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion, ...
Authors:Farrants, H, Tarnawski, M, Mueller, T.G, Otsuka, S, Hiblot, J, Koch, B, Kueblbeck, M, Kraeusslich, H.-G, Ellenberg, J, Johnsson, K.
Deposit date:2019-05-28
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemogenetic Control of Nanobodies.
Nat.Methods, 17, 2020
6XG4
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BU of 6xg4 by Molmil
X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim
Descriptor: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
Authors:Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
Deposit date:2020-06-16
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
Authors:Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
Deposit date:2020-06-16
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
2LF1
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BU of 2lf1 by Molmil
Solution structure of L. casei dihydrofolate reductase complexed with NADPH, 30 structures
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Polshakov, V, Feeney, J, Birdsall, B, Kovalevskaya, N.
Deposit date:2011-06-28
Release date:2011-12-21
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, 50, 2011
1IA3
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BU of 1ia3 by Molmil
Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ...
Authors:Whitlow, M, Howard, A.J, Kuyper, L.F.
Deposit date:2001-03-22
Release date:2001-04-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
1IA4
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BU of 1ia4 by Molmil
Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ...
Authors:Whitlow, M, Howard, A.J, Kuyper, L.F.
Deposit date:2001-03-22
Release date:2001-04-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
5CCC
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BU of 5ccc by Molmil
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E.
Deposit date:2015-07-01
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
9DAQ
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BU of 9daq by Molmil
Structure of E. coli dihydrofolate reductase (DHFR) in an occluded conformation and in complex with a cycloguanil derivative
Descriptor: (6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase
Authors:Berkovich, D.A, Jez, J.M.
Deposit date:2024-08-22
Release date:2025-02-26
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Expanding the Landscape of Dual Action Antifolate Antibacterials through 2,4-Diamino-1,6-dihydro-1,3,5-triazines.
Acs Infect Dis., 11, 2025
9DAR
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BU of 9dar by Molmil
Structure of E. coli dihydrofolate reductase (DHFR) in an occluded conformation and in complex with cycloguanil
Descriptor: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, CITRATE ANION, Dihydrofolate reductase
Authors:Berkovich, D.A, Jez, J.M.
Deposit date:2024-08-22
Release date:2025-02-26
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Expanding the Landscape of Dual Action Antifolate Antibacterials through 2,4-Diamino-1,6-dihydro-1,3,5-triazines.
Acs Infect Dis., 11, 2025
7TJ3
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BU of 7tj3 by Molmil
Crystal structure of a dihydrofolate reductase folA from Stenotrophomonas maltophilia bound to NADP and p218
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-14
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of a dihydrofolate reductase folA from Stenotrophomonas maltophilia bound to NADP and p218
To Be Published
7XI7
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BU of 7xi7 by Molmil
Human dihydrofolate reductase complexed with P39
Descriptor: 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION
Authors:Vanichtanankul, J, Saeyang, T, Kamchonwongpaisan, S, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2022-04-12
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
5CC9
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BU of 5cc9 by Molmil
L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E.
Deposit date:2015-07-01
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
2L28
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BU of 2l28 by Molmil
Solution structure of lactobacillus casei dihydrofolate reductase apo-form, 25 conformers
Descriptor: Dihydrofolate reductase
Authors:Polshakov, V.I, Birdsall, B, Feeney, J.
Deposit date:2010-08-13
Release date:2011-04-06
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, 50, 2011
9KZ4
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BU of 9kz4 by Molmil
Dihydrofolate reductase binding to NADPH and trimethoprim-tetramethylrhodamine
Descriptor: Dihydrofolate reductase, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, K.C, Chen, Z.X.
Deposit date:2024-12-09
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.708 Å)
Cite:Dihydrofolate reductase binding to NADPH and trimethoprim-tetramethylrhodamine
To Be Published
9NI0
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BU of 9ni0 by Molmil
L54A Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)
Descriptor: CALCIUM ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Fried, S.D.E, Boxer, S.G.
Deposit date:2025-02-25
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
9NJO
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BU of 9njo by Molmil
Y100F Mutant of E. coli Dihydrofolate Reductase
Descriptor: Dihydrofolate reductase, MANGANESE (II) ION
Authors:Fried, S.D.E, Mathews, I.I, Boxer, S.G.
Deposit date:2025-02-27
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
6VCJ
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BU of 6vcj by Molmil
Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen
Descriptor: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, Dihydrofolate reductase, FOLIC ACID, ...
Authors:Pedersen, L.C, London, R.E, Gabel, S.A, Krahn, J.M, DeRose, E.F.
Deposit date:2019-12-21
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.
J.Med.Chem., 63, 2020
6UWQ
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BU of 6uwq by Molmil
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-11-05
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor
to be published
7RZO
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BU of 7rzo by Molmil
Crystal structure of a dihydrofolate reductase (folA) from Stenotrophomonas maltophilia
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-08-27
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of dihydrofolate reductase from Stenotrophomonas maltophilia K279a
to be published
4EIG
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BU of 4eig by Molmil
CA1698 camel antibody fragment in complex with DHFR
Descriptor: CA1698 camel antibody fragment, Dihydrofolate reductase
Authors:Oyen, D, Srinivasan, V.
Deposit date:2012-04-05
Release date:2013-04-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
4EIZ
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BU of 4eiz by Molmil
Structure of Nb113 bound to apoDHFR
Descriptor: Dihydrofolate reductase, Nb113 Camel antibody fragment
Authors:Oyen, D, Srinivasan, V.
Deposit date:2012-04-06
Release date:2013-04-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
6UWW
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BU of 6uww by Molmil
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with P218 inhibitor
Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-11-05
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor
to be published

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PDB entries from 2025-06-11

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