3GK2
 
 | | X-ray structure of bovine SBi279,Ca(2+)-S100B | | Descriptor: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | | Deposit date: | 2009-03-09 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | | Deposit date: | 2009-03-09 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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 | | Descriptor: | 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | | Deposit date: | 2009-03-09 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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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3IQO
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3IQQ
 | | X-ray structure of bovine TRTK12-Ca(2+)-S100B | | Descriptor: | CALCIUM ION, Protein S100-B, TRTK12 peptide, ... | | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | | Deposit date: | 2009-08-20 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca(2+) as Examined by NMR and X-ray Crystallography
J.Mol.Biol., 396, 2010
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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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4PE1
 | | Crystal Structure of Calcium-loaded S100B bound to SC124 | | Descriptor: | CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, 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: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.576 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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4PE0
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4434 | | Descriptor: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, P.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-11-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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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: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.178 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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8FSJ
 | | Cryo-EM structure of engineered hepatitis C virus E1E2 ectodomain in complex with antibodies AR4A, HEPC74, and IGH520 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AR4A heavy chain, ... | | Authors: | Metcalf, M.C, Ofek, G. | | Deposit date: | 2023-01-10 | | Release date: | 2023-07-19 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Structure of engineered hepatitis C virus E1E2 ectodomain in complex with neutralizing antibodies.
Nat Commun, 14, 2023
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3CR4
 | | X-ray structure of bovine Pnt,Ca(2+)-S100B | | Descriptor: | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, Protein S100-B | | Authors: | Charpentier, T.H. | | Deposit date: | 2008-04-04 | | Release date: | 2008-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
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3CR5
 | | X-ray structure of bovine Pnt-Zn(2+),Ca(2+)-S100B | | Descriptor: | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, Protein S100-B, ... | | Authors: | Charpentier, T.H. | | Deposit date: | 2008-04-04 | | Release date: | 2008-06-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
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3CR2
 | | X-ray structure of bovine Zn(2+),Ca(2+)-S100B | | Descriptor: | CALCIUM ION, Protein S100-B, ZINC ION | | Authors: | Charpentier, T.H. | | Deposit date: | 2008-04-04 | | Release date: | 2008-06-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
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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: | 2024-10-09 | | 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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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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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: | 2024-05-22 | | 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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