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PDB: 193 件

3C8N
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Crystal structure of apo-FGD1 from Mycobacterium tuberculosis
分子名称: Probable F420-dependent glucose-6-phosphate dehydrogenase FGD1
著者Bashiri, G, Squire, C.J, Moreland, N.J, Baker, E.N.
登録日2008-02-12
公開日2008-04-22
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding.
J.Biol.Chem., 283, 2008
3ANU
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Crystal structure of D-serine dehydratase from chicken kidney
分子名称: CHLORIDE ION, D-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Tanaka, H, Senda, M, Venugopalan, N, Yamamoto, A, Senda, T, Ishida, T, Horiike, K.
登録日2010-09-09
公開日2011-06-15
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney
J.Biol.Chem., 286, 2011
3AWN
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Crystal structure of D-serine dehydratase from chicken kidney (EDTA treated)
分子名称: D-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE
著者Tanaka, H, Senda, M, Venugopalan, N, Yamamoto, A, Senda, T, Ishida, T, Horiike, K.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney.
J.Biol.Chem., 286, 2011
3AWO
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Crystal structure of D-serine dehydratase in complex with D-serine from chicken kidney (EDTA-treated)
分子名称: D-SERINE, D-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE
著者Tanaka, H, Senda, M, Venugopalan, N, Yamamoto, A, Senda, T, Ishida, T, Horiike, K.
登録日2011-03-25
公開日2011-06-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney.
J.Biol.Chem., 286, 2011
4M3B
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Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4DW6
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Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.
分子名称: AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ...
著者Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B.
登録日2012-02-24
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.
J.Med.Chem., 55, 2012
1A1S
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ORNITHINE CARBAMOYLTRANSFERASE FROM PYROCOCCUS FURIOSUS
分子名称: ORNITHINE CARBAMOYLTRANSFERASE
著者Villeret, V, Clantin, B, Tricot, C, Legrain, C, Roovers, M, Stalon, V, Glansdorff, N, Van Beeumen, J.
登録日1997-12-15
公開日1998-06-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of Pyrococcus furiosus ornithine carbamoyltransferase reveals a key role for oligomerization in enzyme stability at extremely high temperatures.
Proc.Natl.Acad.Sci.USA, 95, 1998
4LOV
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Crystal structure of FimH in complex with Heptylmannoside
分子名称: GLYCEROL, Protein FimH, SODIUM ION, ...
著者Garcia-Pino, A, Vanwetswinkel, S, van Nuland, N.
登録日2013-07-13
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Study of the Structural and Dynamic Effects in the FimH Adhesin upon alpha-d-Heptyl Mannose Binding.
J.Med.Chem., 57, 2014
4M3E
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Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4D52
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CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH L-GALACTOPYRANOSE.
分子名称: DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, SODIUM ION, ...
著者Houser, J, Cioci, G, Komarek, J, Wimmerowa, M, Kostlanova, N, Lahmann, M, Varrot, A, Imberty, A.
登録日2014-11-01
公開日2015-03-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
4D4U
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Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with LewisY tetrasaccharide.
分子名称: FUCOSE-SPECIFIC LECTIN FLEA, GLYCEROL, alpha-L-fucopyranose, ...
著者Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
登録日2014-10-31
公開日2015-03-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
2X0J
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2.8 A RESOLUTION STRUCTURE OF MALATE DEHYDROGENASE FROM ARCHAEOGLOBUS FULGIDUS IN COMPLEX WITH ETHENO-NAD
分子名称: ETHENO-NAD, MALATE DEHYDROGENASE, SULFATE ION
著者Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M, Karshikoff, A, Tibbelin, G, Ladenstein, R, Lien, T, Birkeland, N.K.
登録日2009-12-14
公開日2009-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.786 Å)
主引用文献The 2.9A Resolution Crystal Structure of Malate Dehydrogenase from Archaeoglobus Fulgidus: Mechanisms of Oligomerisation and Thermal Stabilisation.
J.Mol.Biol., 335, 2004
4M3G
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Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4DVY
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Crystal structure of the Helicobacter pylori CagA oncoprotein
分子名称: Cytotoxicity-associated immunodominant antigen
著者Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M.
登録日2012-02-23
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Tertiary Structure-Function Analysis Reveals the Pathogenic Signaling Potentiation Mechanism of Helicobacter pylori Oncogenic Effector CagA
Cell Host Microbe, 12, 2012
5UVI
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Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
2XE4
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Structure of Oligopeptidase B from Leishmania major
分子名称: ANTIPAIN, CHLORIDE ION, GLYCEROL, ...
著者McLuskey, K, Paterson, N.G, Bland, N.D, Mottram, J.C, Isaacs, N.W.
登録日2010-05-11
公開日2010-10-06
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Leishmania Major Oligopeptidase B Gives Insight Into the Enzymatic Properties of a Trypanosomatid Virulence Factor.
J.Biol.Chem., 285, 2010
4AGI
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Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with seleno fucoside.
分子名称: FUCOSE-SPECIFIC LECTIN FLEA, methyl 1-seleno-alpha-L-fucopyranoside
著者Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
登録日2012-01-30
公開日2013-02-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Soluble Fucose-Specific Lectin from Aspergillus Fumigatus Conidia - Structure, Specificity and Possible Role in Fungal Pathogenicity.
Plos One, 8, 2013
5UVJ
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Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVK
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Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
著者Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
Iucrj, 4, 2017
4MZP
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MazF from S. aureus crystal form III, C2221, 2.7 A
分子名称: MazF mRNA interferase
著者Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A.
登録日2013-09-30
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics.
Nucleic Acids Res., 42, 2014
5UVL
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Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
3ZPD
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Solution structure of the FimH adhesin carbohydrate-binding domain
分子名称: FIMH
著者van Nuland, N.A.J, Vanwetswinkel, S, Vranken, W.F, Buts, L.
登録日2013-02-27
公開日2014-02-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Study of the Structural and Dynamic Effects in the Fimh Adhesin Upon Alpha-D-Heptyl Mannose Binding.
J.Med.Chem., 57, 2014
3ZLS
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Crystal structure of MEK1 in complex with fragment 6
分子名称: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZM4
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Crystal structure of MEK1 in complex with fragment 1
分子名称: 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-05
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLW
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Crystal structure of MEK1 in complex with fragment 3
分子名称: (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ...
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013

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