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4WXE
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BU of 4wxe by Molmil
CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-11-13
公開日2014-11-26
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS
To be published
4X08
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BU of 4x08 by Molmil
Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
分子名称: Eosinophil cationic protein, SULFATE ION
著者Blanco, J.A, Garcia, J.M, Salazar, V.A, Sanchez, D, Moussauoi, M, Boix, E.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
To Be Published
4X04
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CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CITROBACTER KOSERI (CKO_04899, TARGET EFI-510094) WITH BOUND D-glucuronate
分子名称: CHLORIDE ION, MAGNESIUM ION, beta-D-glucopyranuronic acid, ...
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-11-20
公開日2014-12-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CITROBACTER KOSERI (CKO_04899, TARGET EFI-510094) WITH BOUND D-glucuronate
To be published
4X9T
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BU of 4x9t by Molmil
Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand
分子名称: CHLORIDE ION, Uncharacterized protein UPF0065
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-11
公開日2014-12-24
最終更新日2015-02-11
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand
To be published
4XEQ
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BU of 4xeq by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID
分子名称: PANTOATE, TRAP dicarboxylate transporter, DctP subunit
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-24
公開日2015-01-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID
To be published
4XHD
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BU of 4xhd by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1
分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A, Camac, D.M.
登録日2015-01-05
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
4XF5
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BU of 4xf5 by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol.
分子名称: (2S)-2-aminopropan-1-ol, CHLORIDE ION, Twin-arginine translocation pathway signal
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-26
公開日2015-01-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol.
To be published
4XFR
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BU of 4xfr by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522
分子名称: CITRIC ACID, Uncharacterized protein
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-28
公開日2015-01-28
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XGJ
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BU of 4xgj by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer
分子名称: Uncharacterized protein
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-30
公開日2015-02-18
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XDG
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BU of 4xdg by Molmil
Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule
分子名称: (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A.
登録日2014-12-19
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Molecules, 22, 2017
4XFM
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BU of 4xfm by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer
分子名称: THREONATE ION, Uncharacterized protein
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-27
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XIY
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BU of 4xiy by Molmil
Crystal structure of ketol-acid reductoisomerase from Azotobacter
分子名称: DI(HYDROXYETHYL)ETHER, FE (III) ION, Ketol-acid reductoisomerase, ...
著者Spatzal, T, Cahn, J.K.B, Wiig, J.A, Einsle, O, Hu, Y, Ribbe, M.W, Arnold, F.H.
登録日2015-01-07
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XDH
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BU of 4xdh by Molmil
Crystal Structure of Quinone Reductase II in complex with a 2-(4-methoxy-phenyl)-5-methoxy-indol-3-one molecule
分子名称: 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A.
登録日2014-12-19
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Molecules, 22, 2017
4XFE
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Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, TRAP dicarboxylate transporter subunit DctP, ...
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-26
公開日2015-01-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate
To be published
4XG0
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BU of 4xg0 by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group C2221
分子名称: CHLORIDE ION, CITRIC ACID, SULFATE ION, ...
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-30
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XZQ
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BU of 4xzq by Molmil
Nucleosome disassembly by RSC and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis
分子名称: DNA (147-MER), Histone H2A, Histone H2B 1.1, ...
著者Dechassa, M.L, Luger, K, Chatterjee, N, North, J.A, Manohar, M, Prasad, R, Ottessen, J.J, Poirier, M.G, Bartholomew, B.
登録日2015-02-04
公開日2015-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Histone Acetylation near the Nucleosome Dyad Axis Enhances Nucleosome Disassembly by RSC and SWI/SNF.
Mol.Cell.Biol., 35, 2015
4XUF
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Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220)
分子名称: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3
著者Zorn, J.A, Wang, Q, Fujimura, E, Barros, T, Kuriyan, J.
登録日2015-01-25
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220).
Plos One, 10, 2015
4XX9
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Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RF4
分子名称: (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2015-01-29
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking.
J.Med.Chem., 58, 2015
4XZ0
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ZAP-70-tSH2:compound-A complex
分子名称: 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone, SULFATE ION, Tyrosine-protein kinase ZAP-70
著者Barros, T, Kuriyan, J, Visperas, P.R, Winger, J.A.
登録日2015-02-03
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
4XZS
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Crystal Structure of TRIAP1-MBP fusion
分子名称: Maltose-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Miliara, X, Garnett, J.A, Abid-Ali, F, Perez-Dorado, I, Matthews, S.J.
登録日2015-02-04
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural insight into the TRIAP1/PRELI-like domain family of mitochondrial phospholipid transfer complexes.
Embo Rep., 16, 2015
4XZ1
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ZAP-70-tSH2:Compound-B adduct
分子名称: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide
著者Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R.
登録日2015-02-03
公開日2015-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
4XZV
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Crystal Structure of SLMO1-TRIAP1 Complex
分子名称: Maltose-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, Protein slowmo homolog 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Miliara, X, Garnett, J.A, Matthews, S.J.
登録日2015-02-05
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Structural insight into the TRIAP1/PRELI-like domain family of mitochondrial phospholipid transfer complexes.
Embo Rep., 16, 2015
4YKQ
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Heat Shock Protein 90 Bound to CS301
分子名称: 1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha
著者Kang, Y.N, Stuckey, J.A.
登録日2015-03-04
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure of Heat Shock Protein 90 Bound to CS301
To Be Published
4YBK
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C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase
分子名称: 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
登録日2015-02-18
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4YEX
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HUaa-19bp
分子名称: DNA-binding protein HU-alpha, synthetic DNA strand
著者Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
登録日2015-02-24
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016

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