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5UIH
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BU of 5uih by Molmil
structure of DHFR with bound phenformin and NADP
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Dihydrofolate reductase, ...
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 (1.647 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
5W3Q
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BU of 5w3q by Molmil
L28F E.coli DHFR in complex with NADPH
Descriptor: CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E, Wilson, I.A.
Deposit date:2017-06-08
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion.
J. Am. Chem. Soc., 139, 2017
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
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
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
2INQ
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BU of 2inq by Molmil
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
8CRH
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BU of 8crh by Molmil
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
2QK8
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BU of 2qk8 by Molmil
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
7T7S
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BU of 7t7s by Molmil
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
7T7Q
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BU of 7t7q by Molmil
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
6CXM
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BU of 6cxm by Molmil
Crystal structure of a dihydrofolate reductase from Mycobacterium smegmatis in complex with NADP and P218
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 (SSGCID)
Deposit date:2018-04-03
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of a dihydrofolate reductase from Mycobacterium smegmatis in complex with NADP and P218
To Be Published
6CQA
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BU of 6cqa by Molmil
E. coli DHFR complex with inhibitor AMPQD
Descriptor: 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, SULFATE ION
Authors:Cao, H, Rodrigues, J, Benach, J, Wasserman, S, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
Deposit date:2018-03-14
Release date:2019-01-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6RUL
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BU of 6rul by Molmil
Crystal structure of GFP-LAMA-F98 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH
Descriptor: GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIETHYLENE GLYCOL, ...
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 (2.2 Å)
Cite:Chemogenetic Control of Nanobodies.
Nat.Methods, 17, 2020
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
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
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
8VZ4
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BU of 8vz4 by Molmil
L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)
Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Fried, S.D.E, Boxer, S.G.
Deposit date:2024-02-09
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
8UVZ
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BU of 8uvz by Molmil
Bacillus subtilis DHFR bound to NADP+ and folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Smith, N, Horswill, A.R, Wilson, M.A.
Deposit date:2023-11-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Bacillus subtilis DHFR bound to NADP+ and folate
To Be Published
8UW0
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BU of 8uw0 by Molmil
Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Smith, N, Horswill, A.R, Wilson, M.A.
Deposit date:2023-11-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:X-ray-driven chemistry and conformational heterogeneity in atomic resolution crystal structures of bacterial dihydrofolate reductases
To Be Published
2W3A
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BU of 2w3a by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND TRIMETHOPRIM
Descriptor: DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
Deposit date:2008-11-10
Release date:2009-11-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
2W9T
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BU of 2w9t by Molmil
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
1JUV
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BU of 1juv by Molmil
Crystal structure analysis of Dihydrofolate reductase from Bacteriophage T4
Descriptor: DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Moon, J.H, Oh, Y.K, Suh, S.W.
Deposit date:2001-08-28
Release date:2003-12-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure analysis of Dihydrofolate reductase from Bacteriophage T4
To be Published
2W9S
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BU of 2w9s by Molmil
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
1JOL
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BU of 1jol by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Lee, H, Reyes, V.M, Kraut, J.
Deposit date:1996-02-25
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
1JOM
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BU of 1jom by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Reyes, V.M, Lee, H, Kraut, J.
Deposit date:1996-02-25
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996

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