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2H61
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BU of 2h61 by Molmil
X-ray structure of human Ca2+-loaded S100B
Descriptor: CALCIUM ION, Protein S100-B, TETRAETHYLENE GLYCOL
Authors:Ostendorp, T, Heizmann, C.W, Kroneck, P.M.H, Fritz, G.
Deposit date:2006-05-30
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional insights into RAGE activation by multimeric S100B.
Embo J., 26, 2007
2JPT
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BU of 2jpt by Molmil
Structural changes induced in apo-s100a1 protein by the disulphide formation between its CYS85 residue and b-mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, Protein S100-A1
Authors:Zhukov, I, Ejchart, A, Bierzynski, A.
Deposit date:2007-05-23
Release date:2008-02-19
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Structural and motional changes induced in apo-S100A1 protein by the disulfide formation between its Cys 85 residue and beta-mercaptoethanol
Biochemistry, 47, 2008
2KI4
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BU of 2ki4 by Molmil
FGF1-S100A13 complex structure: key component in non-classical path way of FGF1
Descriptor: Heparin-binding growth factor 1, Protein S100-A13
Authors:Krishna, S.M, Rani, S.G, Yu, C.
Deposit date:2009-04-27
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
2K7O
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BU of 2k7o by Molmil
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:2024-05-22
Method:SOLUTION NMR
Cite:Refinement of the solution structure and dynamic properties of Ca(2+)-bound rat S100B.
J.Biomol.Nmr, 42, 2008
2KI6
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BU of 2ki6 by Molmil
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
5CSN
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BU of 5csn by Molmil
S100B-RSK1 crystal structure C
Descriptor: CALCIUM ION, Protein S100-B, Ribosomal protein S6 kinase alpha-1
Authors:Gogl, G, Nyitray, L.
Deposit date:2015-07-23
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY.
J.Biol.Chem., 291, 2016
5CSJ
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S100B-RSK1 crystal structure B
Descriptor: CALCIUM ION, CHLORIDE ION, Protein S100-B, ...
Authors:Gogl, G, Nyitray, L.
Deposit date:2015-07-23
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY.
J.Biol.Chem., 291, 2016
5DKR
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BU of 5dkr by Molmil
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
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
5DKQ
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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
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
5ER4
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BU of 5er4 by Molmil
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
5CSI
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BU of 5csi by Molmil
S100B-RSK1 crystal structure A'
Descriptor: CALCIUM ION, Protein S100-B, Ribosomal protein S6 kinase alpha-1
Authors:Gogl, G, Nyitray, L.
Deposit date:2015-07-23
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY.
J.Biol.Chem., 291, 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
5CSF
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BU of 5csf by Molmil
S100B-RSK1 crystal structure A
Descriptor: CALCIUM ION, Protein S100-B, Ribosomal protein S6 kinase alpha-1
Authors:Gogl, G, Nyitray, L.
Deposit date:2015-07-23
Release date:2015-11-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY.
J.Biol.Chem., 291, 2016
2K8M
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BU of 2k8m by Molmil
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:2024-05-01
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
2KBM
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BU of 2kbm by Molmil
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:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of Ca-S100A1-TRTK12
To be Published
2LP2
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BU of 2lp2 by Molmil
Solution structure and dynamics of human S100A1 protein modified at cysteine 85 with homocysteine disulfide bond formation in calcium saturated form
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CALCIUM ION, Protein S100-A1
Authors:Nowakowski, M.E, Jaremko, L, Jaremko, M, Zdanowski, K, Ejchart, A.
Deposit date:2012-01-31
Release date:2013-02-20
Last modified:2024-04-03
Method:SOLUTION NMR
Cite:Impact of calcium binding and thionylation of S100A1 protein on its nuclear magnetic resonance-derived structure and backbone dynamics.
Biochemistry, 52, 2013
2LLT
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BU of 2llt by Molmil
Post-translational S-nitrosylation is an endogenous factor fine-tuning human S100A1 protein properties
Descriptor: Protein S100-A1
Authors:Lenarcic Zivkovic, M, Zareba-Koziol, M, Zhukova, L, Poznanski, J, Zhukov, I, Wyslouch-Cieszynska, A.
Deposit date:2011-11-17
Release date:2012-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Post-translational S-Nitrosylation Is an Endogenous Factor Fine Tuning the Properties of Human S100A1 Protein.
J.Biol.Chem., 287, 2012
2L0P
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BU of 2l0p by Molmil
Solution structure of human apo-S100A1 protein by NMR spectroscopy
Descriptor: S100 calcium binding protein A1
Authors:Nowakowski, M, Jaremko, L, Jaremko, M, Bierzynski, A, Zhukov, I, Ejchart, A.
Deposit date:2010-07-12
Release date:2011-04-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure and dynamics of human apo-S100A1 protein.
J.Struct.Biol., 174, 2011
2LHL
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BU of 2lhl by Molmil
Chemical Shift Assignments and solution structure of human apo-S100A1 E32Q mutant
Descriptor: Protein S100-A1
Authors:Ruszczynska-Bartnik, K, Zdanowski, K, Zhukov, I, Bierzynski, A, Ejchart, A.
Deposit date:2011-08-12
Release date:2012-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H, 13C and 15N NMR sequence-specific resonance assignments and relaxation parameters for human apo-S100A1 E32Q mutant
To be Published
2L5X
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BU of 2l5x by Molmil
Solution structure of IL1A-S100A13 complex
Descriptor: Interleukin-1 alpha, Protein S100-A13
Authors:Mohan, S.K, Yu, C.
Deposit date:2010-11-09
Release date:2011-01-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The IL1alpha-S100A13 heterotetrameric complex structure: a component in the non-classical pathway for interleukin 1alpha secretion
J.Biol.Chem., 286, 2011
1N65
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BU of 1n65 by Molmil
FAMILY OF NMR SOLUTION STRUCTURES OF CA CE CALBINDIN D9K IN DENATURATING CONDITIONS
Descriptor: CERIUM (III) ION, Vitamin D-dependent calcium-binding protein, intestinal
Authors:Jimenez, B, Poggi, L, Piccioli, M.
Deposit date:2002-11-08
Release date:2003-11-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Monitoring the Early Steps of Unfolding of Dicalcium and Mono-Ce(3+)-Substituted Forms of P43M Calbindin D(9k).
Biochemistry, 42, 2003
1MWN
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BU of 1mwn by Molmil
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
1NSH
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BU of 1nsh by Molmil
Solution Structure of Rabbit apo-S100A11 (19 models)
Descriptor: Calgizzarin
Authors:Dempsey, A.C, Walsh, M.P, Shaw, G.S.
Deposit date:2003-01-27
Release date:2003-07-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Unmasking the Annexin I Interaction from the structure of apo-S100A11
Structure, 11, 2003

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