3LK0
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![BU of 3lk0 by Molmil](/molmil-images/mine/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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8VK4
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5K89
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![BU of 5k89 by Molmil](/molmil-images/mine/5k89) | Crystal Structure of Human Calcium-Bound S100A1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1 | Authors: | Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J. | Deposit date: | 2016-05-27 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | X-ray crystal structure of human calcium-bound S100A1. Acta Crystallogr F Struct Biol Commun, 73, 2017
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3RLZ
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3RM1
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![BU of 3rm1 by Molmil](/molmil-images/mine/3rm1) | |
1UWO
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![BU of 1uwo by Molmil](/molmil-images/mine/1uwo) | |
1SYM
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![BU of 1sym by Molmil](/molmil-images/mine/1sym) | |
4PE0
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![BU of 4pe0 by Molmil](/molmil-images/mine/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: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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1MHO
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![BU of 1mho by Molmil](/molmil-images/mine/1mho) | THE 2.0 A STRUCTURE OF HOLO S100B FROM BOVINE BRAIN | Descriptor: | CALCIUM ION, S-100 PROTEIN | Authors: | Matsumura, H, Shiba, T, Inoue, T, Harada, S, Yasushi, K.A.I. | Deposit date: | 1997-09-11 | Release date: | 1998-11-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel mode of target recognition suggested by the 2.0 A structure of holo S100B from bovine brain. Structure, 6, 1998
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3CR4
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![BU of 3cr4 by Molmil](/molmil-images/mine/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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1MWN
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![BU of 1mwn by Molmil](/molmil-images/mine/1mwn) | Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12 | Descriptor: | CALCIUM ION, F-actin capping protein alpha-1 subunit, S-100 protein, ... | Authors: | Inman, K.G, Yang, R, Rustandi, R.R, Miller, K.E, Baldisseri, D.M, Weber, D.J. | Deposit date: | 2002-09-30 | Release date: | 2002-12-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12 J.Mol.Biol., 324, 2002
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3CZT
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![BU of 3czt by Molmil](/molmil-images/mine/3czt) | Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 9 | Descriptor: | CALCIUM ION, Protein S100-B, ZINC ION | Authors: | Ostendorp, T, Diez, J, Heizmann, C.W, Fritz, G. | Deposit date: | 2008-04-30 | Release date: | 2009-04-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping. Biochim.Biophys.Acta, 1813, 2011
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3D0Y
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![BU of 3d0y by Molmil](/molmil-images/mine/3d0y) | Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 6.5 | Descriptor: | CALCIUM ION, Protein S100-B, TETRAETHYLENE GLYCOL, ... | Authors: | Ostendorp, T, Diez, J, Heizmann, C.W, Fritz, G. | Deposit date: | 2008-05-02 | Release date: | 2009-04-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping. Biochim.Biophys.Acta, 1813, 2011
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4PDZ
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![BU of 4pdz by Molmil](/molmil-images/mine/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
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![BU of 4pe4 by Molmil](/molmil-images/mine/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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8S9W
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![BU of 8s9w by Molmil](/molmil-images/mine/8s9w) | Murine S100A7/S100A15 in presence of calcium | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Harrison, S.A, Naretto, A, Balakrishnan, S, Chazin, W.J. | Deposit date: | 2023-03-30 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Comparative analysis of the physical properties of murine and human S100A7: Insight into why zinc piracy is mediated by human but not murine S100A7. J.Biol.Chem., 299, 2023
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1HT9
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![BU of 1ht9 by Molmil](/molmil-images/mine/1ht9) | DOMAIN SWAPPING EF-HANDS | Descriptor: | CALBINDIN D9K, CALCIUM ION | Authors: | Hakansson, M, Svensson, A.L, Fast, J, Linse, S. | Deposit date: | 2000-12-29 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An extended hydrophobic core induces EF-hand swapping. Protein Sci., 10, 2001
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4XYN
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![BU of 4xyn by Molmil](/molmil-images/mine/4xyn) | X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide | Descriptor: | CALCIUM ION, Protein S100-B, Receptor for advanced glycation endproducts-derived peptide (W61) | Authors: | Jensen, J.L, Indurthi, V.S.K, Neau, D, Vetter, S.W, Colbert, C.L. | Deposit date: | 2015-02-02 | Release date: | 2015-05-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural insights into the binding of the human receptor for advanced glycation end products (RAGE) by S100B, as revealed by an S100B-RAGE-derived peptide complex. Acta Crystallogr.,Sect.D, 71, 2015
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5ER4
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![BU of 5er4 by Molmil](/molmil-images/mine/5er4) | Crystal Structure of Calcium-loaded S100B bound to SC0025 | Descriptor: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, 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 (1.813 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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5ER5
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![BU of 5er5 by Molmil](/molmil-images/mine/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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3HCM
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![BU of 3hcm by Molmil](/molmil-images/mine/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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3GK1
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![BU of 3gk1 by Molmil](/molmil-images/mine/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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3GK2
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![BU of 3gk2 by Molmil](/molmil-images/mine/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
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![BU of 3gk4 by Molmil](/molmil-images/mine/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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4PE7
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![BU of 4pe7 by Molmil](/molmil-images/mine/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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