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7UI5
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BU of 7ui5 by Molmil
Evolution avoids a pathological stabilizing interaction in the immune protein S100A9
Descriptor: CALCIUM ION, Protein S100-A9
Authors:Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J.
Deposit date:2022-03-28
Release date:2022-10-26
Method:SOLUTION NMR
Cite:Evolution avoids a pathological stabilizing interaction in the immune protein S100A9.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QUV
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BU of 7quv by Molmil
Crystal structure of human Calprotectin (S100A8/S100A9) in complex with Peptide 3
Descriptor: 1,2-ETHANEDIOL, 4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid, AMINO GROUP, ...
Authors:Diaz-Perlas, C, Heinis, C, Pojer, F, Lau, K.
Deposit date:2022-01-19
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-affinity peptides developed against calprotectin and their application as synthetic ligands in diagnostic assays.
Nat Commun, 14, 2023
6WN7
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BU of 6wn7 by Molmil
Homo sapiens S100A5
Descriptor: CALCIUM ION, Protein S100-A5
Authors:Perkins, A, Harms, M.J, Wong, C.E, Wheeler, L.C.
Deposit date:2020-04-22
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Learning peptide recognition rules for a low-specificity protein.
Protein Sci., 29, 2020
6DS2
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BU of 6ds2 by Molmil
Crystal structure of Ni(II)-bound human calprotectin
Descriptor: NICKEL (II) ION, Protein S100-A8, Protein S100-A9, ...
Authors:Nolan, E.M, Drennan, C.L, Nakashige, T.G.
Deposit date:2018-06-13
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biophysical Examination of the Calcium-Modulated Nickel-Binding Properties of Human Calprotectin Reveals Conformational Change in the EF-Hand Domains and His3Asp Site.
Biochemistry, 57, 2018
5W1F
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BU of 5w1f by Molmil
Crystal structure of Ni(II)- and Ca(II)-bound human calprotectin
Descriptor: CALCIUM ION, NICKEL (II) ION, Protein S100-A8, ...
Authors:Nakashige, T.G, Drennan, C.L, Nolan, E.M.
Deposit date:2017-06-03
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nickel Sequestration by the Host-Defense Protein Human Calprotectin.
J. Am. Chem. Soc., 139, 2017
6ZFE
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BU of 6zfe by Molmil
Crystal structure of murine S100A9 mutant C80A bound to calcium and zinc
Descriptor: CALCIUM ION, Protein S100-A9, SODIUM ION, ...
Authors:Paris, T, Yatime, L.
Deposit date:2020-06-17
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Divalent cations influence the dimerization mode of murine S100A9 protein by modulating its disulfide bond pattern.
J.Struct.Biol., 213, 2020
6ZDY
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BU of 6zdy by Molmil
Crystal structure of WT murine S100A9 bound to calcium and zinc
Descriptor: CALCIUM ION, Protein S100-A9, SULFATE ION, ...
Authors:Yatime, L.
Deposit date:2020-06-15
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Divalent cations influence the dimerization mode of murine S100A9 protein by modulating its disulfide bond pattern.
J.Struct.Biol., 213, 2020
1A4P
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BU of 1a4p by Molmil
P11 (S100A10), LIGAND OF ANNEXIN II
Descriptor: S100A10
Authors:Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A.
Deposit date:1998-01-30
Release date:1998-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The crystal structure of a complex of p11 with the annexin II N-terminal peptide.
Nat.Struct.Biol., 6, 1999
4XJK
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BU of 4xjk by Molmil
Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin
Descriptor: CALCIUM ION, MANGANESE (II) ION, Protein S100-A8, ...
Authors:Drennan, C.L, Bowman, S.E.J.
Deposit date:2015-01-08
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis.
J.Am.Chem.Soc., 137, 2015
1A03
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BU of 1a03 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES
Descriptor: CALCYCLIN (RABBIT, CA2+)
Authors:Sastry, M, Ketchem, R.R, Crescenzi, O, Weber, C, Lubienski, M.J, Hidaka, H, Chazin, W.J.
Deposit date:1997-12-08
Release date:1999-03-02
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The three-dimensional structure of Ca(2+)-bound calcyclin: implications for Ca(2+)-signal transduction by S100 proteins.
Structure, 6, 1998
7PSP
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BU of 7psp by Molmil
Crystal structure of S100A4 labeled with NU000846b.
Descriptor: (2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, CALCIUM ION, Protein S100-A4
Authors:Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Arruda Bezerra, G, Krojer, T, Koekemoer, L, Von Delft, F, Bountr, C, Brennan, P, Fedorov, O.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of S100A4 labeled with NU000846b.
To Be Published
7PSQ
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BU of 7psq by Molmil
Crystal structure of S100A4 labeled with NU074381b.
Descriptor: (2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Krojer, T, Arruda Bezerra, G, Koekemoer, L, Bountra, C, Von Delft, F, Brennan, P, Fedorov, O.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of S100A4 labeled with NU074381b.
To Be Published
1BT6
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BU of 1bt6 by Molmil
P11 (S100A10), LIGAND OF ANNEXIN II IN COMPLEX WITH ANNEXIN II N-TERMINUS
Descriptor: ANNEXIN II, S100A10
Authors:Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A.
Deposit date:1998-09-02
Release date:1999-01-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of a complex of p11 with the annexin II N-terminal peptide.
Nat.Struct.Biol., 6, 1999
5HLO
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BU of 5hlo by Molmil
Crystal structure of calcium and zinc-bound human S100A8 in space group C2221
Descriptor: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
Authors:Lin, H, Andersen, G.R, Yatime, L.
Deposit date:2016-01-15
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human S100A8 in complex with zinc and calcium.
Bmc Struct.Biol., 16, 2016
5HLV
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BU of 5hlv by Molmil
Crystal structure of calcium and zinc-bound human S100A8 in space group P212121
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Lin, H, Andersen, G.R, Yatime, L.
Deposit date:2016-01-15
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human S100A8 in complex with zinc and calcium.
Bmc Struct.Biol., 16, 2016
5HYD
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BU of 5hyd by Molmil
Crystal structure of calcium-free human S100Z
Descriptor: Protein S100-Z
Authors:Calderone, V, Fragai, M, Luchinat, C, Gallo, G.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Solving the crystal structure of human calcium-free S100Z: the siege and conquer of one of the last S100 family strongholds.
J. Biol. Inorg. Chem., 22, 2017
5I8N
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BU of 5i8n by Molmil
Solution Structure of human calcium-binding S100A9 (C3S) protein
Descriptor: Protein S100-A9
Authors:Chang, C.-C, Chin, Y.
Deposit date:2016-02-19
Release date:2016-08-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Blocking the interaction between S100A9 and RAGE V domain using CHAPS molecule: A novel route to drug development against cell proliferation
Biochim.Biophys.Acta, 1864, 2016
1XK4
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BU of 1xk4 by Molmil
Crystal structure of human calprotectin(S100A8/S100A9)
Descriptor: CALCIUM ION, CHLORIDE ION, CITRATE ANION, ...
Authors:Korndoerfer, I.P, Brueckner, F, Skerra, A.
Deposit date:2004-09-26
Release date:2005-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the human (S100A8/S100A9)2 heterotetramer, calprotectin, illustrates how conformational changes of interacting alpha-helices can determine specific association of two EF-hand proteins
J.Mol.Biol., 370, 2007
4PCW
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BU of 4pcw by Molmil
Crystal Structure of the N-terminal Domain of Human Profilaggrin at 2.2 A Resolution
Descriptor: CALCIUM ION, Filaggrin, NONAETHYLENE GLYCOL
Authors:Bunick, C.G, Steitz, T.A.
Deposit date:2014-04-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Human Profilaggrin S100 Domain and Identification of Target Proteins Annexin II, Stratifin, and HSP27.
J. Invest. Dermatol., 135, 2015
1CNP
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BU of 1cnp by Molmil
THE STRUCTURE OF CALCYCLIN REVEALS A NOVEL HOMODIMERIC FOLD FOR S100 CA2+-BINDING PROTEINS, NMR, 22 STRUCTURES
Descriptor: CALCYCLIN (RABBIT, APO)
Authors:Potts, B.C.M, Smith, J, Akke, M, Macke, T.J, Okazaki, K, Hidaka, H, Case, D.A, Chazin, W.J.
Deposit date:1995-08-31
Release date:1996-10-14
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The structure of calcyclin reveals a novel homodimeric fold for S100 Ca(2+)-binding proteins.
Nat.Struct.Biol., 2, 1995
2WCE
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BU of 2wce by Molmil
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
2WCF
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BU of 2wcf by Molmil
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
4FTG
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BU of 4ftg by Molmil
The crystal structure of an AHNAK peptide in complex with the S100A10/AnxA2 heterotetramer
Descriptor: Annexin A2, ISOPROPYL ALCOHOL, Neuroblast differentiation-associated protein AHNAK, ...
Authors:Ozorowski, G, Luecke, H.
Deposit date:2012-06-27
Release date:2013-01-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.5054 Å)
Cite:Structure of a C-terminal AHNAK peptide in a 1:2:2 complex with S100A10 and an acetylated N-terminal peptide of annexin A2.
Acta Crystallogr.,Sect.D, 69, 2013
2WC8
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BU of 2wc8 by Molmil
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
2WCB
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BU of 2wcb by Molmil
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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