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PDB: 116 件
5W5O
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Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
分子名称: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5J
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Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
1ZLT
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Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
分子名称: (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G.
登録日2005-05-09
公開日2006-06-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
To be Published
1ZH0
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Crystal Structure of L-3-(2-napthyl)alanine-tRNA synthetase in complex with L-3-(2-napthyl)alanine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-(2-NAPHTHYL)-ALANINE, Tyrosyl-tRNA synthetase
著者Turner, J.M, Graziano, J, Spraggon, G, Schultz, P.G.
登録日2005-04-22
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural plasticity of an aminoacyl-tRNA synthetase active site
Proc.Natl.Acad.Sci.Usa, 103, 2006
3FCA
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Genetic Incorporation of a Metal-ion Chelating Amino Acid into proteins as biophysical probe
分子名称: Cysteine synthase, ZINC ION
著者Wang, F, Lee, H, Spraggon, G, Schultz, P.G.
登録日2008-11-21
公開日2009-02-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Genetic incorporation of a metal-ion chelating amino acid into proteins as a biophysical probe.
J.Am.Chem.Soc., 131, 2009
2QB5
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Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-Kinase (ITPK1) in Complex with ADP and Mn2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, ...
著者Chamberlain, P.P, Lesley, S.A, Spraggon, G.
登録日2007-06-15
公開日2007-07-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
2V9K
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Crystal structure of human PUS10, a novel pseudouridine synthase.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者McCleverty, C.J, Hornsby, M, Spraggon, G, Kreusch, A.
登録日2007-08-23
公開日2007-10-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Pus10, a Novel Pseudouridine Synthase.
J.Mol.Biol., 373, 2007
3O0P
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Pilus-related Sortase C of Group B Streptococcus
分子名称: Sortase family protein
著者Malito, E, Spraggon, G.
登録日2010-07-19
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure analysis and site-directed mutagenesis of defined key residues and motives for pilus-related sortase C1 in group B Streptococcus.
Faseb J., 25, 2011
2PIS
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Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs
分子名称: DNA (5'-D(*CP*GP*(CBR)P*GP*AP*AP*(FFD)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Matsuda, S, Fillo, J.D, Henry, A.A, Wilkins, S.J, Rai, P, Dwyer, T.J, Geierstanger, B.H, Wemmer, D.E, Schultz, P.G, Spraggon, G, Romesberg, F.E.
登録日2007-04-13
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs.
J.Am.Chem.Soc., 129, 2007
1FZC
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CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH TWO DIFFERENT BOUND LIGANDS
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, CALCIUM ION, ...
著者Everse, S.J, Spraggon, G, Veerapandian, L, Riley, M, Doolittle, R.F.
登録日1998-05-19
公開日1998-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of fragment double-D from human fibrin with two different bound ligands.
Biochemistry, 37, 1998
2Q7D
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Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in complex with AMPPNP and Mn2+
分子名称: Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Chamberlain, P.P, Lesley, S.A, Spraggon, G.
登録日2007-06-06
公開日2007-07-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
2QTW
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The Crystal Structure of PCSK9 at 1.9 Angstroms Resolution Reveals structural homology to Resistin within the C-terminal domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
著者Hampton, E.N, Knuth, M.W, Li, J, Harris, J.L, Lesley, S.A, Spraggon, G.
登録日2007-08-02
公開日2007-09-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The self-inhibited structure of full-length PCSK9 at 1.9 A reveals structural homology with resistin within the C-terminal domain.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2VP8
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Structure of Mycobacterium tuberculosis Rv1207
分子名称: 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2
著者Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T.
登録日2008-02-27
公開日2008-08-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis.
Fems Microbiol.Lett., 287, 2008
3JXO
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BU of 3jxo by Molmil
Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
分子名称: TrkA-N domain protein
著者Deller, M.C, Johnson, H.A, Miller, M, Spraggon, G, Wilson, I.A, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
登録日2009-09-20
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
To be Published
2H7J
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Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor.
分子名称: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE
著者Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A.
登録日2006-06-02
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
2HXZ
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Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup)
分子名称: Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION
著者Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A.
登録日2006-08-04
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
4AE0
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BU of 4ae0 by Molmil
Crystal structure of diphtheria toxin mutant CRM197
分子名称: DIPHTHERIA TOXIN
著者Malito, E, Spraggon, G.
登録日2012-01-04
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Structural Basis for Lack of Toxicity of the Diphtheria Toxin Mutant Crm197.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AE1
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Crystal structure of diphtheria toxin mutant CRM197 in complex with nicotinamide
分子名称: DIPHTHERIA TOXIN, NICOTINAMIDE
著者Malito, E, Spraggon, G.
登録日2012-01-04
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.078 Å)
主引用文献Structural Basis for Lack of Toxicity of the Diphtheria Toxin Mutant Crm197.
Proc.Natl.Acad.Sci.USA, 109, 2012
1S96
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The 2.0 A X-ray structure of Guanylate Kinase from E.coli
分子名称: Guanylate kinase, PHOSPHATE ION, UNKNOWN ATOM OR ION
著者Kreusch, A, Spraggon, G, Klock, H.E, McMullan, D, Vincent, J, Rodrigues, K, Lesley, S.A.
登録日2004-02-03
公開日2004-02-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of Guanylate Kinase from Escherichia coli at 2.0 A resolution
To be Published
3R5L
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Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-18
公開日2012-01-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5R
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Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5P
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Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: Deazaflavin-dependent nitroreductase, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Y
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Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3QE4
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An evolved aminoacyl-tRNA Synthetase with atypical polysubstrate specificity
分子名称: 4-cyano-L-phenylalanine, Tyrosyl-tRNA synthetase
著者Young, D.D, Young, T.S, Jahnz, M, Ahmad, I, Spraggon, G, Schultz, P.G.
登録日2011-01-19
公開日2011-02-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Evolved Aminoacyl-tRNA Synthetase with Atypical Polysubstrate Specificity .
Biochemistry, 50, 2011
3R5W
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Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012

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