6DS2
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![BU of 6ds2 by Molmil](/molmil-images/mine/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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7UI5
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![BU of 7ui5 by Molmil](/molmil-images/mine/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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6WN7
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![BU of 6wn7 by Molmil](/molmil-images/mine/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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5W1F
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![BU of 5w1f by Molmil](/molmil-images/mine/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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3M0W
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![BU of 3m0w by Molmil](/molmil-images/mine/3m0w) | Structure of S100A4 with PCP | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine, CALCIUM ION, ... | Authors: | Ramagopal, U.A, Dulyaninova, N.G, Almo, S.C, Bresnick, A.R. | Deposit date: | 2010-03-03 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of S100A4 with PCP To be published
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6ZFE
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![BU of 6zfe by Molmil](/molmil-images/mine/6zfe) | |
6ZDY
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![BU of 6zdy by Molmil](/molmil-images/mine/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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5HYD
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![BU of 5hyd by Molmil](/molmil-images/mine/5hyd) | |
1E8A
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![BU of 1e8a by Molmil](/molmil-images/mine/1e8a) | The three-dimensional structure of human S100A12 | Descriptor: | CALCIUM ION, S100A12 | Authors: | Moroz, O.V, Antson, A.A, Murshudov, G.N, Maitland, N.J, Dodson, G.G, Wilson, K.S, Skibshoj, I, Lukanidin, E.M, Bronstein, I.B. | Deposit date: | 2000-09-18 | Release date: | 2001-01-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Three-Dimensional Structure of Human S100A12 Acta Crystallogr.,Sect.D, 57, 2001
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4XJK
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![BU of 4xjk by Molmil](/molmil-images/mine/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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7PSQ
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![BU of 7psq by Molmil](/molmil-images/mine/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
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![BU of 7psp by Molmil](/molmil-images/mine/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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8SJB
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![BU of 8sjb by Molmil](/molmil-images/mine/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
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![BU of 8sjc by Molmil](/molmil-images/mine/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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5I8N
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![BU of 5i8n by Molmil](/molmil-images/mine/5i8n) | |
3ZWH
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![BU of 3zwh by Molmil](/molmil-images/mine/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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7QUV
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![BU of 7quv by Molmil](/molmil-images/mine/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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1GQM
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![BU of 1gqm by Molmil](/molmil-images/mine/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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4AQJ
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![BU of 4aqj by Molmil](/molmil-images/mine/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
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![BU of 4aqi by Molmil](/molmil-images/mine/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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5HLO
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![BU of 5hlo by Molmil](/molmil-images/mine/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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5HLV
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![BU of 5hlv by Molmil](/molmil-images/mine/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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2EGD
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![BU of 2egd by Molmil](/molmil-images/mine/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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2CXJ
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![BU of 2cxj by Molmil](/molmil-images/mine/2cxj) | |
2CNP
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![BU of 2cnp by Molmil](/molmil-images/mine/2cnp) | |