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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5LPU
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![BU of 5lpu by Molmil](/molmil-images/mine/5lpu) | Crystal structure of Annexin A2 complexed with S100A4 | Descriptor: | Annexin A2, CALCIUM ION, GLYCEROL, ... | Authors: | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | Deposit date: | 2016-08-15 | Release date: | 2017-07-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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1UWO
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![BU of 1uwo by Molmil](/molmil-images/mine/1uwo) | |
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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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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3RLZ
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![BU of 3rlz by Molmil](/molmil-images/mine/3rlz) | |
3RM1
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![BU of 3rm1 by Molmil](/molmil-images/mine/3rm1) | |
2BCB
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![BU of 2bcb by Molmil](/molmil-images/mine/2bcb) | |
2BCA
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![BU of 2bca by Molmil](/molmil-images/mine/2bca) | |
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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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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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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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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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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4P2Y
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![BU of 4p2y by Molmil](/molmil-images/mine/4p2y) | |
3CR5
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![BU of 3cr5 by Molmil](/molmil-images/mine/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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3IQQ
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![BU of 3iqq by Molmil](/molmil-images/mine/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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4PE1
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![BU of 4pe1 by Molmil](/molmil-images/mine/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: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.576 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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1ZFS
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![BU of 1zfs by Molmil](/molmil-images/mine/1zfs) | |
3IQO
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![BU of 3iqo by Molmil](/molmil-images/mine/3iqo) | |
3D10
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![BU of 3d10 by Molmil](/molmil-images/mine/3d10) | Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 10.0 | Descriptor: | CALCIUM ION, Protein S100-B, TRIETHYLENE 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 (1.65 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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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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3ICB
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![BU of 3icb by Molmil](/molmil-images/mine/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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