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PDB: 786 件

5SO5
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PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO1
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BU of 5so1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SOH
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BU of 5soh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226
分子名称: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
4ZO2
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AidC, a Dizinc Quorum-Quenching Lactonase
分子名称: Acylhomoserine lactonase, ZINC ION
著者Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D.
登録日2015-05-05
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
4ZO3
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AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine
分子名称: Acylhomoserine lactonase, N-hexanoyl-L-homoserine, ZINC ION
著者Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D.
登録日2015-05-05
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
4ZDL
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BU of 4zdl by Molmil
The crystal structure of the T325S mutant of the human holo SepSecS
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, CITRATE ANION, O-phosphoseryl-tRNA(Sec) selenium transferase
著者French, R.L, Simonovic, M.
登録日2015-04-17
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural basis for early-onset neurological disorders caused by mutations in human selenocysteine synthase.
Sci Rep, 6, 2016
4NEJ
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BU of 4nej by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
分子名称: 5-methylfuran-2-carboxylic acid, Interleukin-2
著者Brenke, R, Jehle, S, Vajda, S, Allen, K.N, Kozakov, D.
登録日2013-10-29
公開日2014-11-19
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
3U3W
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BU of 3u3w by Molmil
Crystal Structure of Bacillus thuringiensis PlcR in complex with the peptide PapR7 and DNA
分子名称: 5'-D(P*AP*TP*AP*TP*GP*AP*AP*AP*TP*AP*TP*TP*GP*CP*AP*TP*AP*G)-3', 5'-D(P*CP*TP*AP*TP*GP*CP*AP*AP*TP*AP*TP*TP*TP*CP*AP*TP*AP*T)-3', C-terminus heptapeptide from PapR protein, ...
著者Grenha, R, Slamti, L, Bouillaut, L, Lereclus, D, Nessler, S.
登録日2011-10-06
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the activation mechanism of the PlcR virulence regulator by the quorum-sensing signal peptide PapR.
Proc.Natl.Acad.Sci.USA, 110, 2013
1XE3
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BU of 1xe3 by Molmil
Crystal Structure of purine nucleoside phosphorylase DeoD from Bacillus anthracis
分子名称: CHLORIDE ION, purine nucleoside phosphorylase
著者Grenha, R, Levdikov, V.M, Fogg, M, Blagova, E.V, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
登録日2004-09-09
公開日2004-10-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure of purine nucleoside phosphorylase (DeoD) from Bacillus anthracis.
Acta Crystallogr.,Sect.F, 61, 2005
1YPF
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BU of 1ypf by Molmil
Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution
分子名称: GMP reductase
著者Grenha, R, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
登録日2005-01-31
公開日2006-02-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution.
To be Published
2A1Y
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BU of 2a1y by Molmil
Crystal Structure of GuaC-GMP complex from Bacillus anthracis at 2.26 A Resolution.
分子名称: GMP reductase, GUANOSINE-5'-MONOPHOSPHATE
著者Grenha, R, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
登録日2005-06-21
公開日2006-07-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of GuaC-GMP complex from Bacillus anthracis at 2.26 A resolution.
To be Published
2EUU
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BU of 2euu by Molmil
Cytochrome c peroxidase (CCP) in complex with 1H-imidazol-2-ylmethanol
分子名称: 1H-IMIDAZOL-2-YLMETHANOL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2C0S
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BU of 2c0s by Molmil
NMR Solution Structure of a protein aspartic acid phosphate phosphatase from Bacillus Anthracis
分子名称: CONSERVED DOMAIN PROTEIN
著者Grenha, R, Rzechorzek, N.J, Brannigan, J.A, Ab, E, Folkers, G.E, De Jong, R.N, Diercks, T, Wilkinson, A.J, Kaptein, R, Wilson, K.S.
登録日2005-09-07
公開日2006-09-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of Spo0E-like protein-aspartic acid phosphatases that regulate sporulation in bacilli.
J. Biol. Chem., 281, 2006
2BZB
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BU of 2bzb by Molmil
NMR Solution Structure of a protein aspartic acid phosphate phosphatase from Bacillus Anthracis
分子名称: CONSERVED DOMAIN PROTEIN
著者Grenha, R, Rzechorzek, N.J, Brannigan, J.A, Ab, E, Folkers, G.E, De Jong, R.N, Diercks, T, Wilkinson, A.J, Kaptein, R, Wilson, K.S.
登録日2005-08-14
公開日2006-09-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of Spo0E-like protein-aspartic acid phosphatases that regulate sporulation in bacilli.
J. Biol. Chem., 281, 2006
2PFB
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BU of 2pfb by Molmil
Structure of oxidized OhrR from Xanthamonas campestris
分子名称: Transcriptional regulator OhrR
著者Brennan, R.G, Newberry, K.J.
登録日2007-04-04
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Mechanism of Organic Hydroperoxide Induction of the Transcription Regulator OhrR.
Mol.Cell, 28, 2007
1K4H
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BU of 1k4h by Molmil
CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-Diamino-8-propylsulfanylmethyl-3H-quinazoline-4-one
分子名称: 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE-TRANSGLYCOSYLASE, ZINC ION
著者Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F.
登録日2001-10-08
公開日2002-04-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
Chembiochem, 3, 2002
1K4G
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BU of 1k4g by Molmil
CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE
分子名称: 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F.
登録日2001-10-08
公開日2002-04-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
ChemBioChem, 3, 2002
2PEX
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BU of 2pex by Molmil
Structure of reduced C22S OhrR from Xanthamonas Campestris
分子名称: FORMIC ACID, Transcriptional regulator OhrR
著者Brennan, R.G, Newberry, K.J.
登録日2007-04-03
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mechanism of Organic Hydroperoxide Induction of the Transcription Regulator OhrR.
Mol.Cell, 28, 2007
2AS2
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BU of 2as2 by Molmil
cytochrome c peroxidase in complex with 2-iminopiperidine
分子名称: Cytochrome c peroxidase, mitochondrial, PIPERIDIN-2-IMINE, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-22
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2AS4
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cytochrome c peroxidase in complex with 3-fluorocatechol
分子名称: 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, mitochondrial, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-22
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
3ECO
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BU of 3eco by Molmil
Crystal structure of MepR, a transcription regulator of the Staphylococcus aureus multidrug efflux pump MepA
分子名称: MepR, SULFATE ION
著者Brennan, R.G, Kumaraswami, M.
登録日2008-09-01
公開日2009-02-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biochemical characterization of MepR, a multidrug binding transcription regulator of the Staphylococcus aureus multidrug efflux pump MepA.
Nucleic Acids Res., 37, 2009
7L5F
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BU of 7l5f by Molmil
Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co
分子名称: 4-(decanoylamino)butanoic acid, COBALT (II) ION, GLYCEROL, ...
著者Mascarenhas, R.N, Liu, D.
登録日2020-12-22
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-gamma-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Acs Omega, 6, 2021
1DUB
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BU of 1dub by Molmil
2-ENOYL-COA HYDRATASE, DATA COLLECTED AT 100 K, PH 6.5
分子名称: 2-ENOYL-COA HYDRATASE, ACETOACETYL-COENZYME A
著者Wierenga, R.K, Engel, C.K.
登録日1996-06-10
公開日1997-07-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of enoyl-coenzyme A (CoA) hydratase at 2.5 angstroms resolution: a spiral fold defines the CoA-binding pocket.
EMBO J., 15, 1996
2AS6
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BU of 2as6 by Molmil
cytochrome c peroxidase in complex with cyclopentylamine
分子名称: CYCLOPENTANAMINE, Cytochrome c peroxidase, mitochondrial, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-22
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2AS1
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cytochrome c peroxidase in complex with thiopheneamidine
分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-22
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006

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