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PDB: 614 results

2JYB
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BU of 2jyb by Molmil
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
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
2ITH
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BU of 2ith by Molmil
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
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
2HM9
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BU of 2hm9 by Molmil
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
2HQP
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BU of 2hqp by Molmil
Solution structure of L.casei dihydrofolate reductase complexed with NADPH, 32 structures
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Polshakov, V.I, Birdsall, B.
Deposit date:2006-07-19
Release date:2007-06-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural insights into cooperative effects of ligand binding to L. casei dihydrofolate redutase
TO BE PUBLISHED
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
8COX
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BU of 8cox by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(2-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide
Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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 (2.1 Å)
Cite:Currently unpublished
To Be Published
8COW
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BU of 8cow by Molmil
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
8COP
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BU of 8cop by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide
Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2023-02-28
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Expansion of a series of pyrimidine derivatives utilising fragment-based merging showcasing anleads to increased affinity with to Mycobacterium tuberculosis dihydrofolate reductase
To Be Published
8COQ
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BU of 8coq by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine
Descriptor: 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2023-02-28
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Currently unpublished
To Be Published
8DAI
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BU of 8dai by Molmil
E. coli DHFR complex with NADP+ and 10-methylfolate
Descriptor: Dihydrofolate reductase, MANGANESE (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Greisman, J.B, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-06-13
Release date:2023-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:E. coli DHFR complex with NADP+ and 10-methylfolate
To Be Published
8DFR
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BU of 8dfr by Molmil
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
8F85
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BU of 8f85 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851
Descriptor: 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-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:2022-11-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851
To be published
8F81
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BU of 8f81 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
Descriptor: 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-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:2022-11-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
To be published
8F83
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BU of 8f83 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846
Descriptor: 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, IMIDAZOLE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846
To be published
8F82
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BU of 8f82 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, BROMIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
To be published
8F80
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BU of 8f80 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
Descriptor: 1,2-ETHANEDIOL, 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
To be published
8F84
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BU of 8f84 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787
Descriptor: 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-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:2022-11-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787
To be published
8G4Z
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BU of 8g4z by Molmil
E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R.
Deposit date:2023-02-10
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field)
To Be Published
5U26
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BU of 5u26 by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p218 Inhibitor
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:2016-11-29
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p218 Inhibitor
TO BE PUBLISHED
5U27
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BU of 5u27 by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-11-29
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
TO BE PUBLISHED
5UII
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BU of 5uii by Molmil
structure of DHFR with bound buformin and NADP
Descriptor: CALCIUM ION, Dihydrofolate reductase, N-butyl-N'-(diaminomethylidene)guanidine, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2018-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
8G50
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BU of 8g50 by Molmil
E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R.
Deposit date:2023-02-10
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
To Be Published
5UJX
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BU of 5ujx by Molmil
Crystal structure of DHFR in 20% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2017-01-19
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018

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