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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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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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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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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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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2K8M
 | | S100A13-C2A binary complex structure | | Descriptor: | Protein S100-A13, Putative uncharacterized protein | | Authors: | Mohan, S.K, Rani, S.G, Kumar, S.M, Yu, C. | | Deposit date: | 2008-09-14 | | Release date: | 2009-03-17 | | Last modified: | 2012-04-18 | | Method: | SOLUTION NMR | | Cite: | S100A13-C2A binary complex structure-a key component in the acidic fibroblast growth factor for the non-classical pathway.
Biochem.Biophys.Res.Commun., 380, 2009
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2KAX
 | | Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states | | Descriptor: | Protein S100-A5 | | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2008-11-17 | | Release date: | 2009-06-30 | | Last modified: | 2020-09-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
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2KAY
 | | Solution structure and dynamics of S100A5 in the Ca2+ -bound states | | Descriptor: | CALCIUM ION, Protein S100-A5 | | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2008-11-17 | | Release date: | 2009-06-30 | | Last modified: | 2020-09-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
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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: | 2018-08-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Ca-S100A1-TRTK12
To be Published
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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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2WC8
 | | S100A12 complex with zinc in the absence of calcium | | Descriptor: | CITRIC ACID, PROTEIN S100-A12, SODIUM ION, ... | | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | | Deposit date: | 2009-03-10 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
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2WCB
 | | S100A12 complex with zinc in the absence of calcium | | Descriptor: | PROTEIN S100-A12, SODIUM ION, ZINC ION | | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | | Deposit date: | 2009-03-10 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
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2WCE
 | | calcium-free (apo) S100A12 | | Descriptor: | PROTEIN S100-A12, SODIUM ION | | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | | Deposit date: | 2009-03-11 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
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2WCF
 | | calcium-free (apo) S100A12 | | Descriptor: | PROTEIN S100-A12, SODIUM ION | | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | | Deposit date: | 2009-03-11 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
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2KI4
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2KI6
 | | The FGF1-S100A13-C2A hetero-hexameric complex structure: A component in the non-classical pathway for FGF1 secretion | | Descriptor: | Heparin-binding growth factor 1, Protein S100-A13, Synaptotagmin-1 | | Authors: | Krishna, S.M, Rani, S.G, Yu, C. | | Deposit date: | 2009-04-28 | | Release date: | 2010-03-09 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | The heterohexameric complex structure, a component in the non-classical pathway for fibroblast growth factor 1 (FGF1) secretion.
J.Biol.Chem., 285, 2010
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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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2WND
 | | Structure of an S100A7 triple mutant | | Descriptor: | CALCIUM ION, PROTEIN S100-A7, ZINC ION | | Authors: | West, N.R, Farnell, B, Watson, P.H, Boulanger, M.J. | | Deposit date: | 2009-07-08 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Characterization of a Triple Mutant Form of S100A7 Defective for Jab1 Binding.
Protein Sci., 18, 2009
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2WOS
 | | Structure of human S100A7 in complex with 2,6 ANS | | Descriptor: | 6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE, CALCIUM ION, PROTEIN S100-A7, ... | | Authors: | Leon, R, Murray, J.I, Cragg, G, Farnell, B, Pace, T.C, Bohne, C, Boulanger, M.J, Hof, F. | | Deposit date: | 2009-07-27 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways.
Biochemistry, 48, 2009
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2WOR
 | | co-structure of S100A7 with 1,8 ANS | | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, CALCIUM ION, PROTEIN S100-A7, ... | | Authors: | Leon, R, Hof, F, Boulanger, M.J. | | Deposit date: | 2009-07-27 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways.
Biochemistry, 48, 2009
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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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2KOT
 | | Solution structure of S100A13 with a drug amlexanox | | Descriptor: | 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Protein S100-A13 | | Authors: | Rani, S.G, Mohan, S.K, Yu, C. | | Deposit date: | 2009-09-30 | | Release date: | 2010-03-09 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Molecular level interactions of S100A13 with amlexanox: inhibitor for the formation of multi-protein complex in non-classical pathway of the acidic fibroblast growth factor
Biochemistry, 2010
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