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4PE0
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BU of 4pe0 by Molmil
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
4YI8
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BU of 4yi8 by Molmil
Crystal structure of non-myristoylated E153A recoverin at 1.2 A resolution with calcium ions bound to EF-hands 2 and 3
Descriptor: CALCIUM ION, Recoverin, SULFATE ION
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2015-02-28
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of Recoverin with Calcium Ions Bound to Both Functional EF Hands.
Biochemistry, 54, 2015
3RM1
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BU of 3rm1 by Molmil
1.24 Angstrom X-ray structure of bovine TRTK12-Ca(2+)-S100B D63N
Descriptor: CALCIUM ION, F-actin-capping protein subunit alpha-2, Protein S100-B
Authors:Liriano, M.A, Weber, D.J.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:The effects of CapZ peptide (TRTK12) on the protein dynamics of S100B and S100B D63N
To be Published
5ER5
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BU of 5er5 by Molmil
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
5D7F
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BU of 5d7f by Molmil
X-ray structure of Ca(2+)-S100B with human RAGE-derived W72 peptide
Descriptor: Advanced glycosylation end product-specific receptor, CALCIUM ION, GLYCEROL, ...
Authors:Jensen, J.L, Colbert, C.L.
Deposit date:2015-08-13
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:X-ray structure of Ca(2+)-S100B with human RAGE-derived W72 peptide
To Be Published
4YI9
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BU of 4yi9 by Molmil
Crystal structure of non-myristoylated E153A recoverin at 1.35 A resolution with a sodium ion bound to EF-hand 2 and calcium ion bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin, SODIUM ION
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2015-02-28
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of Recoverin with Calcium Ions Bound to Both Functional EF Hands.
Biochemistry, 54, 2015
3CZT
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BU of 3czt by Molmil
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
1QX2
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BU of 1qx2 by Molmil
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
4M2P
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BU of 4m2p by Molmil
Crystal structure of a non-myristoylated C39D recoverin mutant with one calcium ion bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2013-08-05
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
4MLW
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BU of 4mlw by Molmil
Crystal structure of non-myristoylated recoverin at 1.45 A resolution with calcium bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2013-09-06
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A highly conserved cysteine of neuronal calcium-sensing proteins controls cooperative binding of Ca2+ to recoverin.
J.Biol.Chem., 288, 2013
4M2O
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BU of 4m2o by Molmil
Crystal structure of a non-myristoylated C39A recoverin mutant with one calcium ion bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2013-08-05
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
1IG5
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BU of 1ig5 by Molmil
BOVINE CALBINDIN D9K BINDING MG2+
Descriptor: MAGNESIUM ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL
Authors:Andersson, E.M, Svensson, L.A.
Deposit date:2001-04-17
Release date:2001-04-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the negative allostery between Ca(2+)- and Mg(2+)-binding in the intracellular Ca(2+)-receptor calbindin D9k.
Protein Sci., 6, 1997
1OMR
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BU of 1omr by Molmil
non-myristoylated wild-type bovine recoverin with calcium bound to EF-hand 3
Descriptor: CALCIUM ION, recoverin
Authors:Weiergraber, O.H, Granzin, J.
Deposit date:2003-02-26
Release date:2003-11-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Impact of N-terminal myristoylation on the Ca2+-dependent conformational transition in recoverin
J.Biol.Chem., 278, 2003
3D0Y
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BU of 3d0y by Molmil
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
3IQO
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BU of 3iqo by Molmil
1.5 angstrom X-ray structure of bovine Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B
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 (1.5 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
1GGZ
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BU of 1ggz by Molmil
CRYSTAL STRUCTURE OF THE CALMODULIN-LIKE PROTEIN (HCLP) FROM HUMAN EPITHELIAL CELLS
Descriptor: CALCIUM ION, CALMODULIN-RELATED PROTEIN NB-1
Authors:Han, B.-G, Han, M, Sui, H, Yaswen, P, Walian, P.J, Jap, B.K.
Deposit date:2000-10-13
Release date:2002-06-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human calmodulin-like protein: insights into its functional role.
FEBS Lett., 521, 2002
6FIE
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BU of 6fie by Molmil
Crystallographic structure of calcium loaded Calbindin-D28K.
Descriptor: CALCIUM ION, Calbindin, THIOCYANATE ION
Authors:Noble, J.W, Almalki, R, Roe, S.M, Wagner, A, Dumanc, R, Atack, J.R.
Deposit date:2018-01-18
Release date:2018-10-10
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The X-ray structure of human calbindin-D28K: an improved model.
Acta Crystallogr D Struct Biol, 74, 2018
5G08
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BU of 5g08 by Molmil
Crystal structure of Drosophila NCS-1 bound to chlorpromazine
Descriptor: 1,2-ETHANEDIOL, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, ...
Authors:Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J.
Deposit date:2016-03-17
Release date:2017-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5DKN
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BU of 5dkn by Molmil
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
4PE1
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BU of 4pe1 by Molmil
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
5DKQ
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BU of 5dkq by Molmil
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
5AAN
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BU of 5aan by Molmil
Crystal structure of Drosophila NCS-1 bound to penothiazine FD44
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CG5907-PA, ...
Authors:Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J.
Deposit date:2015-07-27
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4ICB
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BU of 4icb by Molmil
PROLINE CIS-TRANS ISOMERS IN CALBINDIN D9K OBSERVED BY X-RAY CRYSTALLOGRAPHY
Descriptor: CALBINDIN D9K, CALCIUM ION
Authors:Svensson, L.A.
Deposit date:1991-08-27
Release date:1993-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Proline cis-trans isomers in calbindin D9k observed by X-ray crystallography.
J.Mol.Biol., 223, 1992
4FQO
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BU of 4fqo by Molmil
Crystal Structure of Calcium-Loaded S100B Bound to SBi4211
Descriptor: 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B
Authors:McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J.
Deposit date:2012-06-25
Release date:2012-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
3D10
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BU of 3d10 by Molmil
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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