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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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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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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1PSB
 | | Solution structure of calcium loaded S100B complexed to a peptide from N-Terminal regulatory domain of NDR kinase. | | Descriptor: | Ndr Ser/Thr kinase-like protein, S-100 protein, beta chain | | Authors: | Bhattacharya, S, Large, E, Heizmann, C.W, Hemmings, B, Chazin, W.J. | | Deposit date: | 2003-06-21 | | Release date: | 2003-12-16 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of the Ca(2+)/S100B/NDR Kinase Peptide Complex: Insights into S100 Target Specificity and Activation of the Kinase.
Biochemistry, 42, 2003
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1QLS
 | | S100C (S100A11),OR CALGIZZARIN, IN COMPLEX WITH ANNEXIN I N-TERMINUS | | Descriptor: | ANNEXIN I, CALCIUM ION, S100C PROTEIN | | Authors: | Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A. | | Deposit date: | 1999-09-15 | | Release date: | 2000-02-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Ca2+ Dependent Association between S100C (S100A11) and its Target, the N-Terminal Part of Annexin I
Structure, 8, 2000
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1QX2
 | | X-ray Structure of Calcium-loaded Calbindomodulin (A Calbindin D9k Re-engineered to Undergo a Conformational Opening) at 1.44 A Resolution | | Descriptor: | CALCIUM ION, Vitamin D-dependent calcium-binding protein, intestinal, ... | | Authors: | Bunick, C.G, Nelson, M.R, Mangahas, S, Mizoue, L.S, Bunick, G.J, Chazin, W.J. | | Deposit date: | 2003-09-04 | | Release date: | 2004-05-25 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Designing Sequence to Control Protein Function in an EF-Hand Protein
J.Am.Chem.Soc., 126, 2004
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1QLK
 | | SOLUTION STRUCTURE OF CA(2+)-LOADED RAT S100B (BETABETA) NMR, 20 STRUCTURES | | Descriptor: | CALCIUM ION, S-100 PROTEIN | | Authors: | Drohat, A.C, Baldisseri, D.M, Rustandi, R.R, Weber, D.J. | | Deposit date: | 1997-09-26 | | Release date: | 1998-11-11 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of calcium-bound rat S100B(betabeta) as determined by nuclear magnetic resonance spectroscopy,.
Biochemistry, 37, 1998
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1SYM
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1TNX
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1TNW
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1TOP
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1UWO
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1K2H
 | | Three-dimensional Solution Structure of apo-S100A1. | | Descriptor: | S-100 protein, alpha chain | | Authors: | Rustandi, R.R, Baldisseri, D.M, Inman, K.G, Nizner, P, Hamilton, S.M, Landar, A, Landar, A, Zimmer, D.B, Weber, D.J. | | Deposit date: | 2001-09-27 | | Release date: | 2002-02-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the calcium-signaling protein apo-S100A1 as determined by NMR.
Biochemistry, 41, 2002
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1KSM
 | | AVERAGE NMR SOLUTION STRUCTURE OF CA LN CALBINDIN D9K | | Descriptor: | LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN | | Authors: | Bertini, I, Donaire, A, Luchinat, C, Piccioli, M, Poggi, L, Parigi, G, Jimenez, B. | | Deposit date: | 2002-01-14 | | Release date: | 2002-01-23 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
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1KCY
 | | NMR solution structure of apo calbindin D9k (F36G + P43M mutant) | | Descriptor: | calbindin D9k | | Authors: | Nelson, M.R, Thulin, E, Fagan, P.A, Forsen, S, Chazin, W.J. | | Deposit date: | 2001-11-12 | | Release date: | 2001-11-21 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | The EF-hand domain: a globally cooperative structural unit.
Protein Sci., 11, 2002
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1KQV
 | | Family of NMR Solution Structures of Ca Ln Calbindin D9K | | Descriptor: | LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN | | Authors: | Bertini, I, Donaire, A, Jimenez, B, Luchinat, C, Parigi, G, Piccioli, M, Poggi, L. | | Deposit date: | 2002-01-08 | | Release date: | 2002-01-16 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
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1MQ1
 | | Ca2+-S100B-TRTK-12 complex | | Descriptor: | F-actin capping protein alpha-1 subunit, S-100 protein, beta chain | | Authors: | McClintock, K.A, Shaw, G.S. | | Deposit date: | 2002-09-13 | | Release date: | 2002-12-25 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | A novel S100 target conformation is revealed by the solution structure of the Ca2+-S100B-TRTK-12 complex.
J.Biol.Chem., 278, 2003
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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
 | | 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: | 2022-02-23 | | 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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1N65
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1NCY
 | | TROPONIN-C, COMPLEX WITH MANGANESE | | Descriptor: | MANGANESE (II) ION, SULFATE ION, TROPONIN C | | Authors: | Sundaralingam, M, Rao, S.T. | | Deposit date: | 1996-06-02 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structures of Mn, Cd and Tb metal complexes of troponin C.
Acta Crystallogr.,Sect.D, 52, 1996
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1NCZ
 | | TROPONIN C | | Descriptor: | SULFATE ION, TERBIUM(III) ION, TROPONIN C | | Authors: | Sundaralingam, M, Rao, S.T. | | Deposit date: | 1996-06-02 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structures of Mn, Cd and Tb metal complexes of troponin C.
Acta Crystallogr.,Sect.D, 52, 1996
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1NCX
 | | TROPONIN C | | Descriptor: | CADMIUM ION, SULFATE ION, TROPONIN C | | Authors: | Sundaralingam, M, Rao, S.T. | | Deposit date: | 1996-06-02 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structures of Mn, Cd and Tb metal complexes of troponin C.
Acta Crystallogr.,Sect.D, 52, 1996
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1NSH
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