5SO5
 
 | |
5SO1
 | |
5SOH
 | |
8FMI
 | | Crystal structure of human KRAS at 1.12 A | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | | 著者 | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | | 登録日 | 2022-12-23 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
|
|
8FMJ
 | | Crystal structure of human KRAS in space group R32 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | | 登録日 | 2022-12-23 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
|
|
8FMK
 | | Crystal structure of human KRAS with extended switch I loop | | 分子名称: | CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | | 登録日 | 2022-12-23 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
|
|
4NEJ
 | | 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
|
|
8STW
 | | K384N HUMAN CYSTATHIONINE BETA-SYNTHASE (delta 411-551) | | 分子名称: | Cystathionine beta-synthase, K384N variant, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Mascarenhas, R, Roman, J, Banerjee, R. | | 登録日 | 2023-05-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Disease-causing cystathionine beta-synthase linker mutations impair allosteric regulation.
J.Biol.Chem., 299, 2023
|
|
8U4J
 | | Structure of the HER4/BTC Homodimer Extracellular Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betacellulin, ... | | 著者 | Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N. | | 登録日 | 2023-09-10 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structure of the HER4/BTC Homodimer Extracellular Domain
To Be Published
|
|
8U4I
 | | Structure of the HER4/NRG1b Homodimer Extracellular Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 6 of Pro-neuregulin-1, ... | | 著者 | Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N. | | 登録日 | 2023-09-10 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain
To Be Published
|
|
8U4L
 | | Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 6 of Pro-neuregulin-1, ... | | 著者 | Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N. | | 登録日 | 2023-09-10 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain
To Be Published
|
|
8U4K
 | | Structure of the HER2/HER4/BTC Heterodimer Extracellular Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betacellulin, ... | | 著者 | Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N. | | 登録日 | 2023-09-10 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.27 Å) | | 主引用文献 | Structure of the HER2/HER4/BTC Heterodimer Extracellular Domain
To Be Published
|
|
3U3W
 | | 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
|
|
2C0S
 | | 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
 | | 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
|
|
3QSU
 | |
1K4H
 | | 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
|
|
2EUN
 | | Cytochrome c peroxidase (CCP) in complex with 2,4-diaminopyrimidine | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, PYRIMIDINE-2,4-DIAMINE, 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 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
|
|
2EUT
 | | Cytochrome c peroxidase (CCP) in complex with 2-amino-4-picoline | | 分子名称: | 4-METHYLPYRIDIN-2-AMINE, 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 (1.12 Å) | | 主引用文献 | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
|
|
2EUP
 | | Cytochrome c peroxidase (CCP) in complex with 2-amino-5-picoline | | 分子名称: | 5-METHYLPYRIDIN-2-AMINE, 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 (1.4 Å) | | 主引用文献 | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
|
|
2EUU
 | | 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
|
|
1K4G
 | | 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
|
|
5UBK
 | | Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific binding pocket for the D-Tyr of this substrate | | 分子名称: | Acyl-homoserine lactone acylase PvdQ, N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine | | 著者 | Mascarenhas, R, Catlin, D, Wu, R, Clevenger, K, Fast, W, Liu, D. | | 登録日 | 2016-12-20 | | 公開日 | 2017-03-01 | | 最終更新日 | 2019-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ
To Be Published
|
|
1N2V
 | | Crystal Structure of TGT in complex with 2-Butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione | | 分子名称: | 2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE, Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Brenk, R, Naerum, L, Graedler, U, Gerber, H.-D, Garcia, G.A, Reuter, K, Stubbs, M.T, Klebe, G. | | 登録日 | 2002-10-24 | | 公開日 | 2003-04-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis
J.Med.Chem., 46, 2003
|
|
2EUO
 | | Cytochrome c peroxidase (CCP) in complex with 1-methyl-1-lambda-5-pyridin-3-yl-amine | | 分子名称: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, 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
|
|
