8SJB
| Crystal structure of Zn2+ bound calprotectin variant H87C | Descriptor: | CALCIUM ION, NONAETHYLENE GLYCOL, Protein S100-A8, ... | Authors: | Perera, Y.R, Rodriguez, A.M, Garcia, V, Guillen, R.M, Chazin, W.J. | Deposit date: | 2023-04-17 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of Zn2+ bound calprotectin To Be Published
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8SJC
| Crystal structure of Zn2+ bound calprotectin | Descriptor: | CALCIUM ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Perera, Y.R, Garcia, V, Guillen, R.M, Chazin, W.J. | Deposit date: | 2023-04-17 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of Zn2+ bound calprotectin To Be Published
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8FJ8
| Crystal structure of Mn(2+),Ca(2+)-S100B | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Protein S100-B | Authors: | Hunter, D.A. | Deposit date: | 2022-12-19 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural insights into ions binding to S100A1 versus S100B To Be Published
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8VK4
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8S9W
| Murine S100A7/S100A15 in presence of calcium | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Harrison, S.A, Naretto, A, Balakrishnan, S, Chazin, W.J. | Deposit date: | 2023-03-30 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Comparative analysis of the physical properties of murine and human S100A7: Insight into why zinc piracy is mediated by human but not murine S100A7. J.Biol.Chem., 299, 2023
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8VK3
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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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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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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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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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7NMI
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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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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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6T58
| Structure determination of the transactivation domain of p53 in complex with S100A4 using annexin A2 as a crystallization chaperone | Descriptor: | CALCIUM ION, Cellular tumor antigen p53,Protein S100-A4,Protein S100-A4,Annexin A2, GLYCEROL | Authors: | Ecsedi, P, Gogl, G, Nyitray, L. | Deposit date: | 2019-10-15 | Release date: | 2020-05-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure Determination of the Transactivation Domain of p53 in Complex with S100A4 Using Annexin A2 as a Crystallization Chaperone. Structure, 28, 2020
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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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5LPU
| Crystal structure of Annexin A2 complexed with S100A4 | Descriptor: | Annexin A2, CALCIUM ION, GLYCEROL, ... | Authors: | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | Deposit date: | 2016-08-15 | Release date: | 2017-07-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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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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5K89
| Crystal Structure of Human Calcium-Bound S100A1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1 | Authors: | Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J. | Deposit date: | 2016-05-27 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | X-ray crystal structure of human calcium-bound S100A1. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5HYD
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5I8N
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5D7F
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5ER5
| 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
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5ER4
| 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
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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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