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8VZ4
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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
3RO9
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Candida glabrata 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 (UCP1006)
Descriptor: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Strain CBS138 chromosome J complete sequence
Authors:Paulsen, J.L, Anderson, A.C.
Deposit date:2011-04-25
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
5FDA
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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
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
4LEK
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BU of 4lek by Molmil
Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines
Descriptor: 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.T.
Deposit date:2013-06-25
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines.
J.Med.Chem., 57, 2014
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
3KFY
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BU of 3kfy by Molmil
Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR
Descriptor: 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Gromova, A.V, Miller, K.R, Singleton, S.F.
Deposit date:2009-10-28
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR
To be Published
2ANO
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BU of 2ano by Molmil
Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17
Descriptor: 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE, Dihydrofolate reductase, MANGANESE (II) ION, ...
Authors:Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S.
Deposit date:2005-08-11
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
J.Med.Chem., 49, 2006
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
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
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
5JA3
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BU of 5ja3 by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106)
Descriptor: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hajian, B, Anderson, A.C.
Deposit date:2016-04-11
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.814 Å)
Cite:Propargyl-Linked Antifolates Are Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Plos One, 11, 2016
4CD2
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BU of 4cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F.
Deposit date:1999-03-18
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
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
1HFP
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BU of 1hfp by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1HFQ
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BU of 1hfq by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1HFR
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BU of 1hfr by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
8A0Z
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BU of 8a0z by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, ...
Authors:Kirkman, T.K, Dias, M.V.B.
Deposit date:2022-05-30
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of candida auris
To Be Published
7ZZX
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BU of 7zzx by Molmil
Crystal structure of Candida auris DHFR in apo form
Descriptor: Dihydrofolate reductase
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2022-05-26
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
8A0N
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BU of 8a0n by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kirkman, T.K, Dias, M.V.B.
Deposit date:2022-05-29
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of candida auris dihydrofolate reductase
To Be Published
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
1YHO
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BU of 1yho by Molmil
Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25 structures
Descriptor: 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Polshakov, V.I, Birdsall, B.
Deposit date:2005-01-10
Release date:2005-11-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of human dihydrofolate reductase in its complex with trimethoprim and NADPH.
J.Biomol.Nmr, 33, 2005
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
1VDR
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BU of 1vdr by Molmil
DIHYDROFOLATE REDUCTASE
Descriptor: DIHYDROFOLATE REDUCTASE, PHOSPHATE ION
Authors:Pieper, U, Herzberg, O.
Deposit date:1997-11-30
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural features of halophilicity derived from the crystal structure of dihydrofolate reductase from the Dead Sea halophilic archaeon, Haloferax volcanii.
Structure, 6, 1998

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