3LK0
 
 | | X-ray structure of bovine SC0067,Ca(2+)-S100B | | 分子名称: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, Protein S100-B | | 著者 | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | 登録日 | 2010-01-26 | | 公開日 | 2010-12-29 | | 最終更新日 | 2022-10-12 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010
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4DIR
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1XYD
 | | NMR Solution Structure of Rat Zinc-Calcium-S100B, 20 Structures | | 分子名称: | CALCIUM ION, S-100 protein, beta chain, ... | | 著者 | Wilder, P.T, Varney, K.M, Weber, D.J. | | 登録日 | 2004-11-09 | | 公開日 | 2005-06-07 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of Zinc- and Calcium-Bound Rat S100B as Determined by Nuclear Magnetic Resonance Spectroscopy
Biochemistry, 44, 2005
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4FQO
 | | Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 | | 分子名称: | 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B | | 著者 | McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. | | 登録日 | 2012-06-25 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
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1ZFS
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1ZRI
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1HP2
 | | SOLUTION STRUCTURE OF A TOXIN FROM THE SCORPION TITYUS SERRULATUS (TSTX-K ALPHA) DETERMINED BY NMR. | | 分子名称: | TITYUSTOXIN K ALPHA | | 著者 | Ellis, K.C, Tenenholz, T.C, Gilly, W.F, Blaustein, M.P, Weber, D.J. | | 登録日 | 2000-12-12 | | 公開日 | 2001-06-13 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Interaction of a toxin from the scorpion Tityus serrulatus with a cloned K+ channel from squid (sqKv1A).
Biochemistry, 40, 2001
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1JYT
 | | Solution structure of olfactory marker protein from rat | | 分子名称: | Olfactory Marker Protein | | 著者 | Baldisseri, D.M, Margolis, J.W, Weber, D.J, Koo, J.H, Margolis, F.M. | | 登録日 | 2001-09-13 | | 公開日 | 2001-10-03 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Olfactory marker protein (OMP) exhibits a beta-clam fold in solution: implications for target peptide interaction and olfactory signal transduction.
J.Mol.Biol., 319, 2002
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1K2H
 | | Three-dimensional Solution Structure of apo-S100A1. | | 分子名称: | S-100 protein, alpha chain | | 著者 | Rustandi, R.R, Baldisseri, D.M, Inman, K.G, Nizner, P, Hamilton, S.M, Landar, A, Landar, A, Zimmer, D.B, Weber, D.J. | | 登録日 | 2001-09-27 | | 公開日 | 2002-02-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Three-dimensional solution structure of the calcium-signaling protein apo-S100A1 as determined by NMR.
Biochemistry, 41, 2002
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1M31
 | | Three-Dimensional Solution Structure of Apo-Mts1 | | 分子名称: | Placental calcium-binding protein | | 著者 | Vallely, K.M, Rustandi, R.R, Ellis, K.C, Varlamova, O, Bresnick, A.R, Weber, D.J. | | 登録日 | 2002-06-26 | | 公開日 | 2002-10-30 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human Mts1 (S100A4) as determined by NMR spectroscopy.
Biochemistry, 41, 2002
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3GK2
 | | X-ray structure of bovine SBi279,Ca(2+)-S100B | | 分子名称: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, CACODYLATE ION, CALCIUM ION, ... | | 著者 | Charpentier, T.H, Weber, D.J, Toth, E.A. | | 登録日 | 2009-03-09 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | | 主引用文献 | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
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3GK4
 | | X-ray structure of bovine SBi523,Ca(2+)-S100B | | 分子名称: | CALCIUM ION, Protein S100-B, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate | | 著者 | Charpentier, T.H, Weber, D.J, Toth, E.A. | | 登録日 | 2009-03-09 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
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3GK1
 | | X-ray structure of bovine SBi132,Ca(2+)-S100B | | 分子名称: | 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, CACODYLATE ION, CALCIUM ION, ... | | 著者 | Charpentier, T.H, Weber, D.J, Toth, E.A. | | 登録日 | 2009-03-09 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
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2JVU
 | | Solution Structure of Dispersin from Enteroaggregative Escherichia coli | | 分子名称: | DISPERSIN | | 著者 | Velarde, J.J, Varney, K.M, Farfan, K, Dudley, D, Inman, J.G, Fletcher, J, Weber, D.J, Nataro, J.P. | | 登録日 | 2007-09-25 | | 公開日 | 2008-02-12 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the novel dispersin protein of enteroaggregative Escherichia coli.
Mol.Microbiol., 66, 2007
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2K2F
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2JUB
 | | Solution structure of IPI* | | 分子名称: | Internal protein I | | 著者 | Rifat, D, Wright, N.T, Varney, K.M, Weber, D.J, Black, L.W. | | 登録日 | 2007-08-17 | | 公開日 | 2007-12-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Restriction endonuclease inhibitor IPI* of bacteriophage T4: a novel structure for a dedicated target.
J.Mol.Biol., 375, 2008
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2K7O
 | | Ca2+-S100B, refined with RDCs | | 分子名称: | CALCIUM ION, Protein S100-B | | 著者 | Wright, N.T, Inman, K.G, Levine, J.A, Weber, D.J. | | 登録日 | 2008-08-17 | | 公開日 | 2008-11-18 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Refinement of the solution structure and dynamic properties of Ca(2+)-bound rat S100B.
J.Biomol.Nmr, 42, 2008
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2KBM
 | | Ca-S100A1 interacting with TRTK12 | | 分子名称: | CALCIUM ION, F-actin-capping protein subunit alpha-2, Protein S100-A1 | | 著者 | Wright, N.T, Varney, K.M, Cannon, B.R, Morgan, M, Weber, D.J. | | 登録日 | 2008-12-02 | | 公開日 | 2009-02-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of Ca-S100A1-TRTK12
To be Published
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3RM1
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3RLZ
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8FJ8
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6O69
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7REV
 | | Co-crystal structure of Chaetomium glucosidase with compound 3 | | 分子名称: | (2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2021-07-13 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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7R6J
 | | Co-crystal structure of Chaetomium glucosidase with compound 1 | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2021-06-22 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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7RD2
 | | Co-crystal structure of Chaetomium glucosidase with compound 2 | | 分子名称: | (2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2021-07-09 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-03-01 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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