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PDB: 33 件

3M08
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BU of 3m08 by Molmil
Wild Type Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1
分子名称: 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, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Barrow, W.W.
登録日2010-03-02
公開日2010-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.014 Å)
主引用文献Inhibition of Antibiotic-Resistant Staphylococcus aureus by the Broad-Spectrum Dihydrofolate Reductase Inhibitor RAB1.
Antimicrob.Agents Chemother., 54, 2010
3M09
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BU of 3m09 by Molmil
F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1
分子名称: 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, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Barrow, W.W.
登録日2010-03-02
公開日2010-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Inhibition of Antibiotic-Resistant Staphylococcus aureus by the Broad-Spectrum Dihydrofolate Reductase Inhibitor RAB1.
Antimicrob.Agents Chemother., 54, 2010
3FL8
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BU of 3fl8 by Molmil
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a TMP-dihydrophthalazine derivative
分子名称: 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
著者Bourne, C.R, Barrow, W.W.
登録日2008-12-18
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2881 Å)
主引用文献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
6N90
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BU of 6n90 by Molmil
YoeB/ParE toxin from Agrobacterium tumefaciens
分子名称: 6-tungstotellurate(VI), Uncharacterized protein
著者Bourne, C.R, Reddem, E.R.
登録日2018-11-30
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Identifying a Molecular Mechanism That Imparts Species-Specific Toxicity to YoeB Toxins.
Front Microbiol, 11, 2020
3FL9
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BU of 3fl9 by Molmil
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with trimethoprim
分子名称: CALCIUM ION, TRIMETHOPRIM, dihydrofolate reductase (DHFR)
著者Bourne, C.R, Barrow, W.W.
登録日2008-12-18
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
4M7U
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BU of 4m7u by Molmil
Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)
分子名称: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bourne, C.R.
登録日2013-08-12
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1014 Å)
主引用文献The Structure and Competitive Substrate Inhibition of Dihydrofolate Reductase from Enterococcus faecalis Reveal Restrictions to Cofactor Docking.
Biochemistry, 53, 2014
4M7V
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Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)and RAB-propyl
分子名称: 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, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bourne, C.R.
登録日2013-08-12
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structure and Competitive Substrate Inhibition of Dihydrofolate Reductase from Enterococcus faecalis Reveal Restrictions to Cofactor Docking.
Biochemistry, 53, 2014
6XRW
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BU of 6xrw by Molmil
Chromosomal ParDE TA system from P. aeruginosa
分子名称: BENZAMIDINE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Bourne, C.R, Snead, K.J, Thomas, L.M.
登録日2020-07-13
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献ParD Antitoxin Hotspot Alters a Disorder-to-Order Transition upon Binding to Its Cognate ParE Toxin, Lessening Its Interaction Affinity and Increasing Its Protease Degradation Kinetics.
Biochemistry, 61, 2022
6OJO
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BU of 6ojo by Molmil
Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with pterine
分子名称: 7,8-dihydroneopterin aldolase, PTERINE
著者Bourne, C.R.
登録日2019-04-11
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with pterine
To Be Published
7SU7
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BU of 7su7 by Molmil
Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, ...
著者Bourne, C.R.
登録日2021-11-16
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product
To Be Published
7SU6
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BU of 7su6 by Molmil
DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase
著者Bourne, C.R.
登録日2021-11-16
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
To Be Published
7SU4
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BU of 7su4 by Molmil
Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ...
著者Bourne, C.R.
登録日2021-11-16
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin
To Be Published
7SU8
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BU of 7su8 by Molmil
DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ETHYL-PYRROLIDINE-2,5-DIONE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Bourne, C.R.
登録日2021-11-16
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin
To Be Published
4ELB
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BU of 4elb by Molmil
Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
分子名称: (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, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
4ELF
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BU of 4elf by Molmil
Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
分子名称: (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, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: (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, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献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
分子名称: (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, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
4ELG
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BU of 4elg by Molmil
Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
分子名称: (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, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
4FGH
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BU of 4fgh by Molmil
S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine inhibitor
分子名称: (2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-06-04
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.
Chemmedchem, 7, 2012
4FGG
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BU of 4fgg by Molmil
S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor
分子名称: (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-06-04
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.
Chemmedchem, 7, 2012
6PRB
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BU of 6prb by Molmil
S. aureus dihydrofolate reductase co-crystallized with cyclopropyl-dimethyoxydihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, (2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, Dihydrofolate reductase, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
6PR6
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BU of 6pr6 by Molmil
S. aureus dihydrofolate reductase co-crystallized with para-tolyl-dihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(4-methylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
6PR7
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BU of 6pr7 by Molmil
S. aureus dihydrofolate reductase co-crystallized with benzyl-dihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
6PR9
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BU of 6pr9 by Molmil
S. aureus dihydrofolate reductase co-crystallized with 1-ethylpropyl-dihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
6PR8
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BU of 6pr8 by Molmil
S. aureus dihydrofoate reductase co-crystallized with 3,5-dimethylphenyl-dihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020

 

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