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3GI1
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Crystal Structure of the laminin-binding protein Lbp of Streptococcus pyogenes
分子名称: Laminin-binding protein of group A streptococci, ZINC ION
著者Linke, C, Caradoc-Davies, T.T, Young, P.G, Proft, T, Baker, E.N.
登録日2009-03-04
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The laminin-binding protein Lbp from Streptococcus pyogenes is a zinc receptor
J.Bacteriol., 191, 2009
4J8T
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Engineered Digoxigenin binder DIG10.2
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-14
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4J8N
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Aurora A Kinase Apo
分子名称: Aurora kinase A
著者Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A.
登録日2013-02-14
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.135 Å)
主引用文献Drugging MYCN through an Allosteric Transition in Aurora Kinase A.
Cancer Cell, 26, 2014
4J9H
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Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8
分子名称: P7, SULFATE ION, Tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7
To be Published
2PY6
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BU of 2py6 by Molmil
Crystal structure of Methyltransferase FkbM (YP_546752.1) from Methylobacillus flagellatus KT at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-05-15
公開日2007-05-29
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Methyltransferase FkbM (YP_546752.1) from Methylobacillus flagellatus KT at 2.20 A resolution
To be published
4JBQ
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Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
分子名称: Aurora Kinase A, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
著者Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
登録日2013-02-20
公開日2013-06-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
2Q03
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BU of 2q03 by Molmil
Crystal structure of uncharacterized protein (YP_563039.1) from Shewanella denitrificans OS217 at 1.80 A resolution
分子名称: GLYCEROL, Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2007-05-18
公開日2007-05-29
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of uncharacterized protein (YP_563039.1) from Shewanella denitrificans OS217 at 1.80 A resolution
To be published
4JBI
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BU of 4jbi by Molmil
2.35A resolution structure of NADPH bound thermostable alcohol dehydrogenase from Pyrobaculum aerophilum
分子名称: Alcohol dehydrogenase (Zinc), NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
著者Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S.
登録日2013-02-19
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
4JDD
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BU of 4jdd by Molmil
14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface
分子名称: 14-3-3 protein sigma, Estrogen receptor Peptide, FUSICOCCIN
著者Bier, D, Ottmann, C.
登録日2013-02-25
公開日2013-05-15
最終更新日2017-06-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Interaction of 14-3-3 proteins with the estrogen receptor alpha F domain provides a drug target interface.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
4JC7
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BU of 4jc7 by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
分子名称: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
著者Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
登録日2013-02-21
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
3GLC
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BU of 3glc by Molmil
Crystal Structure of E. coli LsrF in complex with Ribose-5-phosphate
分子名称: Aldolase lsrF, RIBOSE-5-PHOSPHATE
著者Miller, S.T, Diaz, Z.C.
登録日2009-03-11
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the Escherichia coli autoinducer-2 processing protein LsrF.
Plos One, 4, 2009
2Q9K
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Crystal structure of a putative oxidoreductase (exig_1997) from exiguobacterium sibiricum 255-15 at 1.59 A resolution
分子名称: UNKNOWN LIGAND, Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-12
公開日2007-06-19
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure of conserved uncharacterized protein (ZP_00539648.1) from Exiguobacterium sp. 255-15 at 1.59 A resolution
To be published
4JFI
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BU of 4jfi by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
分子名称: 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
登録日2013-02-28
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
4JKM
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Crystal Structure of Clostridium perfringens beta-glucuronidase
分子名称: Beta-glucuronidase, Maltose-binding periplasmic protein
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4JL0
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BU of 4jl0 by Molmil
Crystal structure of PcrH in complex with the chaperone binding region of PopB
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PopB, Regulatory protein PcrH
著者Discola, K.F, Forster, A, Simorre, J.P, Attree, I, Dessen, A, Job, V.
登録日2013-03-12
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Membrane and Chaperone Recognition by the Major Translocator Protein PopB of the Type III Secretion System of Pseudomonas aeruginosa.
J.Biol.Chem., 289, 2014
4HFQ
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BU of 4hfq by Molmil
Crystal structure of UDP-X diphosphatase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Duong-Ly, K.C, Amzel, L.M, Gabelli, S.B.
登録日2012-10-05
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献A UDP-X diphosphatase from Streptococcus pneumoniae hydrolyzes precursors of peptidoglycan biosynthesis.
Plos One, 8, 2013
2QOK
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BU of 2qok by Molmil
Human EphA3 kinase and juxtamembrane region, Y596F:Y602F:S768A triple mutant
分子名称: BETA-MERCAPTOETHANOL, Ephrin receptor
著者Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-07-20
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
2Q8U
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CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION
分子名称: Exonuclease, putative
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-11
公開日2007-06-26
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair.
J.Mol.Biol., 397, 2010
4H5L
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Crystal Structure of Toscana Virus Nucleocapsid Protein Hexamer
分子名称: Nucleoprotein
著者Raymond, D.D, Smith, J.L.
登録日2012-09-18
公開日2012-11-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Phleboviruses encapsidate their genomes by sequestering RNA bases.
Proc.Natl.Acad.Sci.USA, 109, 2012
2QOC
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Human EphA3 kinase domain, phosphorylated, AMP-PNP bound structure
分子名称: BETA-MERCAPTOETHANOL, Ephrin receptor, MAGNESIUM ION, ...
著者Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-07-20
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
3DP3
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BU of 3dp3 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
4GNL
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Structure of rat cytosolic PEPCK Ld_2g in complex with PEP and GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ...
著者Johnson, T.A, Holyoak, T.
登録日2012-08-17
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function.
Biochemistry, 51, 2012
5RSK
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3
分子名称: 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
2QOQ
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Human EphA3 kinase and juxtamembrane region, base, AMP-PNP bound structure
分子名称: Ephrin receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Loppnau, P, Allali-Hassani, A, Structural Genomics Consortium (SGC)
登録日2007-07-20
公開日2007-10-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
5RSZ
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004218283
分子名称: 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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