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PDB: 23 results
8SSX
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BU of 8ssx by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase, SULFATE ION
Authors:Shaw, G.X, Li, Y, Wu, Y, Yan, H, Ji, X.
Deposit date:2023-05-09
Release date:2023-05-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
To be published
3S9U
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BU of 3s9u by Molmil
Bacillus anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP120J
Descriptor: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Activity Studies of Heterocyclic Propargyl-linked TMP Analogs Targeting Bacillus anthracis Dihydrofolate Reductase
To be Published
3JWK
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BU of 3jwk by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A)
Descriptor: 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
4ELG
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BU of 4elg by Molmil
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-methylpropyl)phthalazin-2(1H)-yl]prop-2 -en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]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 (2.101 Å)
Cite:Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
4ELH
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BU of 4elh by Molmil
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
3SA2
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BU of 3sa2 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
Descriptor: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
3E0B
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BU of 3e0b by Molmil
Bacillus anthracis Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Frey, K.M.
Deposit date:2008-07-31
Release date:2008-11-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synthetic and Crystallographic Studies of a New Inhibitor Series Targeting Bacillus anthracis Dihydrofolate Reductase
J.Med.Chem., 51, 2008
3JVX
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BU of 3jvx by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
Descriptor: 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-17
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3SAI
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BU of 3sai by Molmil
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015
Descriptor: 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, DI(HYDROXYETHYL)ETHER, Dihydrofolate reductase, ...
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs targeting Bacillus dihydrofolate reductase
To be Published
3FL8
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BU of 3fl8 by Molmil
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a TMP-dihydrophthalazine derivative
Descriptor: 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, CALCIUM ION, Dihydrofolate reductase
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2008-12-18
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2881 Å)
Cite:Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity.
Antimicrob.Agents Chemother., 53, 2009
3DAT
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BU of 3dat by Molmil
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, B.C, Dealwis, C.G.
Deposit date:2008-05-30
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
4ELF
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BU of 4elf by Molmil
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-(3,3,3-trifluoropropyl)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 (2.3 Å)
Cite:Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
4ELE
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BU of 4ele by Molmil
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
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
3FL9
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BU of 3fl9 by Molmil
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with trimethoprim
Descriptor: CALCIUM ION, TRIMETHOPRIM, dihydrofolate reductase (DHFR)
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2008-12-18
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity.
Antimicrob.Agents Chemother., 53, 2009
3SA1
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BU of 3sa1 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1021
Descriptor: 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
3JW3
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BU of 3jw3 by Molmil
Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-17
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JWM
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BU of 3jwm by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A)
Descriptor: 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JWC
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BU of 3jwc by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
Descriptor: 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
3JWF
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BU of 3jwf by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (R)-2,4-diamino-5-(3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP113A)
Descriptor: (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
4ELB
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BU of 4elb by Molmil
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-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]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 (2.6 Å)
Cite:Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
3JW5
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BU of 3jw5 by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and Trimethoprim
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-17
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
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

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PDB entries from 2024-10-30

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