3KO0
 
 | | Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor | | Descriptor: | 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, Protein S100-A4 | | Authors: | Malashkevich, V.N, Dulyaninova, N.G, Knight, D, Almo, S.C, Bresnick, A.R. | | Deposit date: | 2009-11-12 | | Release date: | 2010-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Phenothiazines inhibit S100A4 function by inducing protein oligomerization.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5W1F
 | | 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
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6WN7
 | | 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
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7UI5
 | | 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 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6DS2
 | | 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
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4XJK
 | | 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
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6ZFE
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6ZDY
 | | 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
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2Y5I
 | | S100Z from zebrafish in complex with calcium | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, S100 CALCIUM BINDING PROTEIN Z | | Authors: | Moroz, O.V, Bronstein, I.B, Wilson, K.S. | | Deposit date: | 2011-01-13 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The Crystal Structure of Zebrafish S100Z: Implications for Calcium-Promoted S100 Protein Oligomerisation.
J.Mol.Biol., 411, 2011
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1GQM
 | | The structure of S100A12 in a hexameric form and its proposed role in receptor signalling | | Descriptor: | CALCIUM ION, CALGRANULIN C | | Authors: | Moroz, O.V, Antson, A.A, Dodson, E.G, Burrel, H.J, Grist, S.J, Lloyd, R.M, Maitland, N.J, Dodson, G.G, Wilson, K.S, Lukanidin, E, Bronstein, I.B. | | Deposit date: | 2001-11-26 | | Release date: | 2002-02-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Structure of S100A12 in a Hexameric Form and its Proposed Role in Receptor Signalling
Acta Crystallogr.,Sect.D, 58, 2002
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3C1V
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7PSP
 | | 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
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7PSQ
 | | 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
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1MR8
 | | MIGRATION INHIBITORY FACTOR-RELATED PROTEIN 8 FROM HUMAN | | Descriptor: | CALCIUM ION, MIGRATION INHIBITORY FACTOR-RELATED PROTEIN 8 | | Authors: | Ishikawa, K, Nakagawa, A, Tanaka, I, Nishihira, J. | | Deposit date: | 1999-04-13 | | Release date: | 2000-05-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of human MRP8, a member of the S100 calcium-binding protein family, by MAD phasing at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
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7QUV
 | | 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
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3PSR
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3ZWH
 | | Ca2+-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with myosin IIA | | Descriptor: | ACETATE ION, AZIDE ION, CALCIUM ION, ... | | Authors: | Kiss, B, Duelli, A, Radnai, L, Kekesi, A.K, Katona, G, Nyitray, L. | | Deposit date: | 2011-07-31 | | Release date: | 2012-04-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal Structure of the S100A4-Nonmuscle Myosin Iia Tail Fragment Complex Reveals an Asymmetric Target Binding Mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4AQJ
 | | Structure of human S100A7 D24G bound to zinc and calcium | | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN S100-A7, ... | | Authors: | Murray, J.I, Tonkin, M.L, Whiting, A.L, Peng, F, Farnell, B, Hof, F, Boulanger, M.J. | | Deposit date: | 2012-04-17 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Characterization of S100A15 Reveals a Novel Zinc Coordination Site Among S100 Proteins and Altered Surface Chemistry with Functional Implications for Receptor Binding.
Bmc Struct.Biol., 12, 2012
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4AQI
 | | Structure of human S100A15 bound to zinc and calcium | | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN S100-A7A, ... | | Authors: | Murray, J.I, Tonkin, M.L, Whiting, A.L, Peng, F, Farnell, B, Hof, F, Boulanger, M.J. | | Deposit date: | 2012-04-17 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Characterization of S100A15 Reveals a Novel Zinc Coordination Site Among S100 Proteins and Altered Surface Chemistry with Functional Implications for Receptor Binding.
Bmc Struct.Biol., 12, 2012
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5HYD
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5HLV
 | | 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
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5HLO
 | | 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
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5I8N
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2CNP
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2EGD
 | | Crystal structure of human S100A13 in the Ca2+-bound state | | Descriptor: | CALCIUM ION, Protein S100-A13 | | Authors: | Imai, F.L, Nagata, K, Yonezawa, N, Nakano, M, Tanokura, M. | | Deposit date: | 2007-02-28 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human S100A13 in the Ca2+-bound state
Acta Crystallogr.,Sect.F, 64, 2008
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