1C49
 
 | | STRUCTURAL AND FUNCTIONAL DIFFERENCES OF TWO TOXINS FROM THE SCORPION PANDINUS IMPERATOR | | Descriptor: | TOXIN K-BETA | | Authors: | Klenk, K.C, Tenenholz, T.C, Matteson, D.R, Rogowski, R.S, Blaustein, M.P, Weber, D.J. | | Deposit date: | 1999-08-17 | | Release date: | 2000-03-22 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structural and functional differences of two toxins from the scorpion Pandinus imperator.
Proteins, 38, 2000
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4PDZ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4172 | | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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4PE4
 | | Crystal Structure of Calcium-loaded S100B bound to SC1475 | | Descriptor: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.178 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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4PE7
 | | Crystal Structure of Calcium-loaded S100B bound to SC1982 | | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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3LLE
 | | X-ray structure of bovine SC0322,Ca(2+)-S100B | | Descriptor: | 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine, CALCIUM ION, Protein S100-B | | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | Deposit date: | 2010-01-28 | | Release date: | 2010-12-29 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int.J.High Throughput Screen, 2010, 2010
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3LK0
 | | X-ray structure of bovine SC0067,Ca(2+)-S100B | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, Protein S100-B | | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | Deposit date: | 2010-01-26 | | Release date: | 2010-12-29 | | Last modified: | 2022-10-12 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010
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3LK1
 | | X-ray structure of bovine SC0322,Ca(2+)-S100B | | Descriptor: | 2-sulfanylbenzoic acid, CALCIUM ION, ETHYL MERCURY ION, ... | | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | Deposit date: | 2010-01-26 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010
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1ZRI
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1ZFS
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1M31
 | | Three-Dimensional Solution Structure of Apo-Mts1 | | Descriptor: | Placental calcium-binding protein | | Authors: | Vallely, K.M, Rustandi, R.R, Ellis, K.C, Varlamova, O, Bresnick, A.R, Weber, D.J. | | Deposit date: | 2002-06-26 | | Release date: | 2002-10-30 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human Mts1 (S100A4) as determined by NMR spectroscopy.
Biochemistry, 41, 2002
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4DIR
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2KBM
 | | Ca-S100A1 interacting with TRTK12 | | Descriptor: | CALCIUM ION, F-actin-capping protein subunit alpha-2, Protein S100-A1 | | Authors: | Wright, N.T, Varney, K.M, Cannon, B.R, Morgan, M, Weber, D.J. | | Deposit date: | 2008-12-02 | | Release date: | 2009-02-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Ca-S100A1-TRTK12
To be Published
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2K7O
 | | Ca2+-S100B, refined with RDCs | | Descriptor: | CALCIUM ION, Protein S100-B | | Authors: | Wright, N.T, Inman, K.G, Levine, J.A, Weber, D.J. | | Deposit date: | 2008-08-17 | | Release date: | 2008-11-18 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Refinement of the solution structure and dynamic properties of Ca(2+)-bound rat S100B.
J.Biomol.Nmr, 42, 2008
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2JVU
 | | Solution Structure of Dispersin from Enteroaggregative Escherichia coli | | Descriptor: | DISPERSIN | | Authors: | Velarde, J.J, Varney, K.M, Farfan, K, Dudley, D, Inman, J.G, Fletcher, J, Weber, D.J, Nataro, J.P. | | Deposit date: | 2007-09-25 | | Release date: | 2008-02-12 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | 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* | | Descriptor: | Internal protein I | | Authors: | Rifat, D, Wright, N.T, Varney, K.M, Weber, D.J, Black, L.W. | | Deposit date: | 2007-08-17 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Restriction endonuclease inhibitor IPI* of bacteriophage T4: a novel structure for a dedicated target.
J.Mol.Biol., 375, 2008
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1HP2
 | | SOLUTION STRUCTURE OF A TOXIN FROM THE SCORPION TITYUS SERRULATUS (TSTX-K ALPHA) DETERMINED BY NMR. | | Descriptor: | TITYUSTOXIN K ALPHA | | Authors: | Ellis, K.C, Tenenholz, T.C, Gilly, W.F, Blaustein, M.P, Weber, D.J. | | Deposit date: | 2000-12-12 | | Release date: | 2001-06-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | 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 | | Descriptor: | Olfactory Marker Protein | | Authors: | Baldisseri, D.M, Margolis, J.W, Weber, D.J, Koo, J.H, Margolis, F.M. | | Deposit date: | 2001-09-13 | | Release date: | 2001-10-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | 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. | | Descriptor: | S-100 protein, alpha chain | | Authors: | Rustandi, R.R, Baldisseri, D.M, Inman, K.G, Nizner, P, Hamilton, S.M, Landar, A, Landar, A, Zimmer, D.B, Weber, D.J. | | Deposit date: | 2001-09-27 | | Release date: | 2002-02-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the calcium-signaling protein apo-S100A1 as determined by NMR.
Biochemistry, 41, 2002
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1DT7
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8FJ8
 | | Crystal structure of Mn(2+),Ca(2+)-S100B | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Protein S100-B | | Authors: | Hunter, D.A. | | Deposit date: | 2022-12-19 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural insights into ions binding to S100A1 versus S100B
To Be Published
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2Q91
 | | Structure of the Ca2+-Bound Activated Form of the S100A4 Metastasis Factor | | Descriptor: | CALCIUM ION, S100A4 Metastasis Factor | | Authors: | Malashkevich, V.N, Knight, D, Ramagopal, U.A, Almo, S.C, Bresnick, A.R. | | Deposit date: | 2007-06-12 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure of Ca(2+)-Bound S100A4 and Its Interaction with Peptides Derived from Nonmuscle Myosin-IIA.
Biochemistry, 47, 2008
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5SY1
 | | Structure of the STRA6 receptor for retinol uptake in complex with calmodulin | | Descriptor: | CALCIUM ION, CHOLESTEROL, Calmodulin, ... | | Authors: | Clarke, O.B, Chen, Y, Mancia, F. | | Deposit date: | 2016-08-10 | | Release date: | 2016-08-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
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7R6J
 | | Co-crystal structure of Chaetomium glucosidase with compound 1 | | Descriptor: | (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, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-06-22 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | 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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7REV
 | | Co-crystal structure of Chaetomium glucosidase with compound 3 | | Descriptor: | (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, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-07-13 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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