4M3B
 
 | | 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
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1TYO
 | | Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix in complex with etheno-NADP | | 分子名称: | ETHENO-NADP, isocitrate dehydrogenase | | 著者 | Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N, Ladenstein, R. | | 登録日 | 2004-07-08 | | 公開日 | 2005-07-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability
J.Mol.Biol., 345, 2005
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1Z0Q
 | | Aqueous Solution Structure of the Alzheimer's Disease Abeta Peptide (1-42) | | 分子名称: | Alzheimer's disease amyloid | | 著者 | Tomaselli, S, Esposito, V, Vangone, P, van Nuland, N.A, Bonvin, A.M, Guerrini, R, Tancredi, T, Temussi, P.A, Picone, D. | | 登録日 | 2005-03-02 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The alpha-to-beta Conformational Transition of Alzheimer's Abeta-(1-42) Peptide in Aqueous Media is Reversible: A Step by Step Conformational Analysis Suggests the Location of beta Conformation Seeding
Chembiochem, 7, 2006
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4LOV
 | | 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
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3AWN
 | | 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
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3AWO
 | | 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
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4M3F
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | 分子名称: | HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide | | 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 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
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3B4Y
 | | FGD1 (Rv0407) from Mycobacterium tuberculosis | | 分子名称: | CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1 | | 著者 | Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2007-10-25 | | 公開日 | 2008-04-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 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
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4MZP
 | | 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
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3C8N
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4MZT
 | | MazF from S. aureus crystal form II, C2221, 2.3 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 (2.303 Å) | | 主引用文献 | Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics.
Nucleic Acids Res., 42, 2014
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4P0D
 | | The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions | | 分子名称: | CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein | | 著者 | Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N. | | 登録日 | 2014-02-20 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes.
Infect.Immun., 82, 2014
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4M3E
 | | 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
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4M3G
 | | 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
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1WCO
 | | The solution structure of the nisin-lipid II complex | | 分子名称: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALA-FGA-LYS-DAL-DAL PEPTIDE, ... | | 著者 | Hsu, S.-T.D, Breukink, E, Tischenko, E, Lutters, M.A.G, de Kruijff, B, Kaptein, R, Bonvin, A.M.J.J, van Nuland, N.A.J. | | 登録日 | 2004-11-19 | | 公開日 | 2005-03-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics.
Nat. Struct. Mol. Biol., 11, 2004
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4MZM
 | | MazF from S. aureus crystal form I, P212121, 2.1 A | | 分子名称: | mRNA interferase MazF | | 著者 | Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A. | | 登録日 | 2013-09-30 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics.
Nucleic Acids Res., 42, 2014
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3ANV
 | | Crystal structure of D-serine dehydratase from chicken kidney (2,3-DAP complex) | | 分子名称: | 3-amino-D-alanine, CHLORIDE ION, D-serine dehydratase, ... | | 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 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney
J.Biol.Chem., 286, 2011
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3ANU
 | | 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
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4PHL
 | | TbrPDEB1-inhibitor complex | | 分子名称: | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE, Class 1 phosphodiesterase PDEB1, ETHANOL, ... | | 著者 | Choy, M.S, Bland, N, Peti, W, Page, R. | | 登録日 | 2014-05-06 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | TbrPDEB1-inhibitor complex
To Be Published
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5EXI
 | | Crystal structure of M. tuberculosis lipoyl synthase at 2.28 A resolution | | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, IRON/SULFUR CLUSTER, Lipoyl synthase | | 著者 | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | | 登録日 | 2015-11-23 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystallographic snapshots of sulfur insertion by lipoyl synthase.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5EXK
 | | Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate | | 分子名称: | 5'-DEOXYADENOSINE, CHLORIDE ION, FE3-S4 CLUSTER, ... | | 著者 | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | | 登録日 | 2015-11-23 | | 公開日 | 2016-08-10 | | 最終更新日 | 2019-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Crystallographic snapshots of sulfur insertion by lipoyl synthase.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5UVK
 | | 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
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5UVL
 | | 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
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5UVJ
 | | 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
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2XE4
 | | 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
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