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6C3U
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BU of 6c3u by Molmil
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY2) bound
分子名称: 3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one, FosA family fosfomycin resistance glutathione transferase, GLYCEROL, ...
著者Klontz, E.H, Sundberg, E.J.
登録日2018-01-10
公開日2018-12-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
3VCY
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BU of 3vcy by Molmil
Structure of MurA (UDP-N-acetylglucosamine enolpyruvyl transferase), from Vibrio fischeri in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin.
分子名称: GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Bensen, D.C, Rodriguez, S, Nix, J, Cunningham, M.L, Tari, L.W.
登録日2012-01-04
公開日2012-04-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献Structure of MurA (UDP-N-acetylglucosamine enolpyruvyl transferase) from Vibrio fischeri in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin.
Acta Crystallogr.,Sect.F, 68, 2012
5WEP
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BU of 5wep by Molmil
Crystal structure of fosfomycin resistance protein FosA3 with inhibitor (ANY1) bound
分子名称: 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one), FosA3, ZINC ION
著者Klontz, E.H, Sundberg, E.J.
登録日2017-07-10
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.502 Å)
主引用文献Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
4OOF
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BU of 4oof by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203F mutant bound to fosmidomycin and NADPH
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
著者Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M.
登録日2014-01-31
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin.
Biochemistry, 53, 2014
5WEW
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BU of 5wew by Molmil
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY1) bound
分子名称: 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one), Fosfomycin resistance protein, MANGANESE (II) ION
著者Klontz, E.H, Sundberg, E.J.
登録日2017-07-10
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.178 Å)
主引用文献Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
1Q0L
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BU of 1q0l by Molmil
Crystal structure of DXR in complex with fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
登録日2003-07-16
公開日2004-07-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1Q0H
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BU of 1q0h by Molmil
Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ...
著者Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
登録日2003-07-16
公開日2004-07-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1ONP
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BU of 1onp by Molmil
IspC complex with Mn2+ and fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION
著者Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F.
登録日2003-02-28
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol 4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria drug development.
J.BIOL.CHEM., 278, 2003
2EGH
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BU of 2egh by Molmil
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase complexed with a magnesium ion, NADPH and fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, ...
著者Yajima, S, Hara, K, Iino, D, Sasaki, Y, Kuzuyama, T, Seto, H.
登録日2007-03-01
公開日2007-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase in a quaternary complex with a magnesium ion, NADPH and the antimalarial drug fosmidomycin
Acta Crystallogr.,Sect.F, 63, 2007
2WT7
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BU of 2wt7 by Molmil
Crystal structure of the bZIP heterodimeric complex MafB:cFos bound to DNA
分子名称: MODIFIED T-MARE MOTIF, PHOSPHATE ION, PROTO-ONCOGENE PROTEIN C-FOS, ...
著者Pogenberg, V, Holton, S, Wilmanns, M.
登録日2009-09-11
公開日2010-09-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of a bZIP Transcription Factor with Homo/Heterodimer-Induced DNA-Binding Preference.
Structure, 22, 2014
5VPE
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BU of 5vpe by Molmil
Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-I crystal
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ...
著者Yin, Z, Machius, M, Rudenko, G.
登録日2017-05-04
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
5VPB
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BU of 5vpb by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-I crystal
分子名称: CHLORIDE ION, Protein fosB, Transcription factor jun-D
著者Yin, Z, Machius, M, Rudenko, G.
登録日2017-05-04
公開日2017-09-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
5VPD
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BU of 5vpd by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-III crystal
分子名称: CHLORIDE ION, Protein fosB, SODIUM ION, ...
著者Yin, Z, Machius, M, Rudenko, G.
登録日2017-05-04
公開日2017-09-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
5VPC
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BU of 5vpc by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-II crystal
分子名称: CHLORIDE ION, Protein fosB, SODIUM ION, ...
著者Yin, Z, Machius, M.C, Rudenko, G.
登録日2017-05-04
公開日2017-09-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
5VPA
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BU of 5vpa by Molmil
Transcription factor FosB/JunD bZIP domain
分子名称: CHLORIDE ION, Protein fosB, SODIUM ION, ...
著者Yin, Z, Machius, M, Rudenko, G.
登録日2017-05-04
公開日2017-09-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
5VPF
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BU of 5vpf by Molmil
Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-II crystal
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ...
著者Yin, Z, Rudenko, G, Machius, M.
登録日2017-05-04
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
4TV1
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BU of 4tv1 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with propylparaben
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2014-06-25
公開日2015-01-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol.Sin., 36, 2015
4TUZ
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BU of 4tuz by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol
分子名称: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2014-06-25
公開日2015-01-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol. Sin., 36, 2015
9CCH
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BU of 9cch by Molmil
Solution structure of the Bsu Anti-TRAP trimer
分子名称: Anti-TRAP regulator, ZINC ION
著者Foster, M.P, McElroy, C.A, Ihms, E.C, Kumar Yadav, D.
登録日2024-06-21
公開日2025-06-25
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Solution structure of the Bsu Anti-TRAP trimer
To Be Published
3ZD0
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BU of 3zd0 by Molmil
The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release
分子名称: P7 PROTEIN
著者Foster, T.L, Sthompson, G, Kalverda, A.P, Kankanala, J, Thompson, J, Barker, A.M, Clarke, D, Noerenberg, M, Pearson, A.R, Rowlands, D.J, Homans, S.W, Harris, M, Foster, R, Griffin, S.D.C.
登録日2012-11-23
公開日2013-09-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure-Guided Design Affirms Inhibitors of Hepatitis C Virus P7 as a Viable Class of Antivirals Targeting Virion Release
Hepatology, 59, 2014
8R81
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BU of 8r81 by Molmil
Crystal structure of the hPXR-LBD in complex with compound JMV6845
分子名称: 2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2023-11-27
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the hPXR-LBD in complex with compound JMV6845
To Be Published
8R82
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BU of 8r82 by Molmil
Crystal structure of the hPXR-LBD in complex with compound JMV6944
分子名称: 1,2-ETHANEDIOL, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Delfosse, V, Bourguet, W.
登録日2023-11-27
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the hPXR-LBD in complex with compound JMV6944
To Be Published
5JMM
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BU of 5jmm by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
分子名称: 1,2-ETHANEDIOL, 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, Estrogen receptor, ...
著者Delfosse, V, Bourguet, W.
登録日2016-04-29
公開日2017-05-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
To Be Published
3EP1
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BU of 3ep1 by Molmil
Structure of the PGRP-Hd from Alvinella pompejana
分子名称: PGRP-Hd - Peptidoglycan recognition protein homologue
著者Delfosse, V, Gagniere, N, Perrodou, E, Poch, O, Lecompte, O, Mayer, C.
登録日2008-09-29
公開日2009-09-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the PGRP-Hd from Alvinella pompejana
To be Published
2IT4
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BU of 2it4 by Molmil
X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet
分子名称: Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION
著者Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T.
登録日2006-10-19
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17, 2007

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件を2025-07-09に公開中

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