1D1O
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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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1CLB
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3HCM
| Crystal structure of human S100B in complex with S45 | Descriptor: | (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ACETATE ION, CALCIUM ION, ... | Authors: | Mangani, S, Cesari, L. | Deposit date: | 2009-05-06 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands Chemmedchem, 5, 2010
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1DT7
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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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3IQO
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3ICB
| THE REFINED STRUCTURE OF VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN FROM BOVINE INTESTINE. MOLECULAR DETAILS, ION BINDING, AND IMPLICATIONS FOR THE STRUCTURE OF OTHER CALCIUM-BINDING PROTEINS | Descriptor: | CALCIUM ION, CALCIUM-BINDING PROTEIN, SULFATE ION | Authors: | Szebenyi, D.M.E, Moffat, K. | Deposit date: | 1986-09-09 | Release date: | 1986-10-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The refined structure of vitamin D-dependent calcium-binding protein from bovine intestine. Molecular details, ion binding, and implications for the structure of other calcium-binding proteins. J.Biol.Chem., 261, 1986
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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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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: | 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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1ZFS
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5CSN
| S100B-RSK1 crystal structure C | Descriptor: | CALCIUM ION, Protein S100-B, Ribosomal protein S6 kinase alpha-1 | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY. J.Biol.Chem., 291, 2016
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5CSJ
| S100B-RSK1 crystal structure B | Descriptor: | CALCIUM ION, CHLORIDE ION, Protein S100-B, ... | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY. J.Biol.Chem., 291, 2016
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5CSI
| S100B-RSK1 crystal structure A' | Descriptor: | CALCIUM ION, Protein S100-B, Ribosomal protein S6 kinase alpha-1 | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY. J.Biol.Chem., 291, 2016
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5D7F
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5CSF
| S100B-RSK1 crystal structure A | Descriptor: | CALCIUM ION, Protein S100-B, Ribosomal protein S6 kinase alpha-1 | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-11 | Last modified: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY. J.Biol.Chem., 291, 2016
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2BCA
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2BCB
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5DKR
| Crystal Structure of Calcium-loaded S100B bound to SBi29 | Descriptor: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | Deposit date: | 2015-09-03 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.742 Å) | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J.Med.Chem., 59, 2016
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5DKQ
| Crystal Structure of Calcium-loaded S100B bound to SBi4214 | Descriptor: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | Deposit date: | 2015-09-03 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J.Med.Chem., 59, 2016
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5DKN
| Crystal Structure of Calcium-loaded S100B bound to SBi4225 | Descriptor: | 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | Deposit date: | 2015-09-03 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.528 Å) | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J.Med.Chem., 59, 2016
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5ER5
| Crystal Structure of Calcium-loaded S100B bound to SC1990 | Descriptor: | CALCIUM ION, ETHIDIUM, Protein S100-B | Authors: | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | Deposit date: | 2015-11-13 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography. Acta Crystallogr D Struct Biol, 72, 2016
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