1XYD
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![BU of 1xyd by Molmil](/molmil-images/mine/1xyd) | NMR Solution Structure of Rat Zinc-Calcium-S100B, 20 Structures | Descriptor: | CALCIUM ION, S-100 protein, beta chain, ... | Authors: | Wilder, P.T, Varney, K.M, Weber, D.J. | Deposit date: | 2004-11-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of Zinc- and Calcium-Bound Rat S100B as Determined by Nuclear Magnetic Resonance Spectroscopy Biochemistry, 44, 2005
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1ZFS
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5DKR
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![BU of 5dkr by Molmil](/molmil-images/mine/5dkr) | 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
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5DKQ
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![BU of 5dkq by Molmil](/molmil-images/mine/5dkq) | 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
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5DKN
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![BU of 5dkn by Molmil](/molmil-images/mine/5dkn) | 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
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2JVU
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![BU of 2jvu by Molmil](/molmil-images/mine/2jvu) | Solution Structure of Dispersin from Enteroaggregative Escherichia coli | Descriptor: | DISPERSIN | Authors: | Velarde, J.J, Varney, K.M, Farfan, K, Dudley, D, Inman, J.G, Fletcher, J, Weber, D.J, Nataro, J.P. | Deposit date: | 2007-09-25 | Release date: | 2008-02-12 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution structure of the novel dispersin protein of enteroaggregative Escherichia coli. Mol.Microbiol., 66, 2007
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2K2F
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2JUB
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![BU of 2jub by Molmil](/molmil-images/mine/2jub) | Solution structure of IPI* | Descriptor: | Internal protein I | Authors: | Rifat, D, Wright, N.T, Varney, K.M, Weber, D.J, Black, L.W. | Deposit date: | 2007-08-17 | Release date: | 2007-12-11 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Restriction endonuclease inhibitor IPI* of bacteriophage T4: a novel structure for a dedicated target. J.Mol.Biol., 375, 2008
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2KBM
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![BU of 2kbm by Molmil](/molmil-images/mine/2kbm) | 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
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5TBX
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![BU of 5tbx by Molmil](/molmil-images/mine/5tbx) | hnRNP A18 RNA Recognition Motif | Descriptor: | ACETATE ION, Cold-inducible RNA-binding protein, NICKEL (II) ION | Authors: | Coburn, K.M, Melville, Z, Aligholizadeh, E, Roth, B.M, Varney, K.M, Weber, D.J. | Deposit date: | 2016-09-13 | Release date: | 2017-04-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | Crystal structure of the human heterogeneous ribonucleoprotein A18 RNA-recognition motif. Acta Crystallogr F Struct Biol Commun, 73, 2017
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3LK0
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![BU of 3lk0 by Molmil](/molmil-images/mine/3lk0) | X-ray structure of bovine SC0067,Ca(2+)-S100B | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, Protein S100-B | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | Deposit date: | 2010-01-26 | Release date: | 2010-12-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction. Int J High Throughput Screen, 2010, 2010
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2LZF
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5JXY
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![BU of 5jxy by Molmil](/molmil-images/mine/5jxy) | Enzyme-substrate complex of TDG catalytic domain bound to a G/U analog | Descriptor: | DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | Authors: | Pidugu, L.S, Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2016-05-13 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues. Nucleic Acids Res., 44, 2016
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4DIR
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7TC3
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![BU of 7tc3 by Molmil](/molmil-images/mine/7tc3) | Human APE1 in the apo form | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.252 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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7TC2
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![BU of 7tc2 by Molmil](/molmil-images/mine/7tc2) | Human APE1 in complex with 5-nitroindole-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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5CYS
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5FF8
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![BU of 5ff8 by Molmil](/molmil-images/mine/5ff8) | TDG enzyme-product complex | Descriptor: | DNA, G/T mismatch-specific thymine DNA glycosylase | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2015-12-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues. Nucleic Acids Res., 44, 2016
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5HF7
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![BU of 5hf7 by Molmil](/molmil-images/mine/5hf7) | TDG enzyme-substrate complex | Descriptor: | DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2016-01-06 | Release date: | 2016-09-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues. Nucleic Acids Res., 44, 2016
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4XEG
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![BU of 4xeg by Molmil](/molmil-images/mine/4xeg) | Structure of the enzyme-product complex resulting from TDG action on a G/hmU mismatch | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ... | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2014-12-23 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA. Nucleic Acids Res., 43, 2015
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4Z47
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![BU of 4z47 by Molmil](/molmil-images/mine/4z47) | Structure of the enzyme-product complex resulting from TDG action on a GU mismatch in the presence of excess base | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DNA, ... | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2015-04-01 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA. Nucleic Acids Res., 43, 2015
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4Z3A
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4Z7Z
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![BU of 4z7z by Molmil](/molmil-images/mine/4z7z) | Structure of the enzyme-product complex resulting from TDG action on a GT mismatch in the presence of excess base | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ... | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2015-04-08 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA. Nucleic Acids Res., 43, 2015
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4Z7B
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![BU of 4z7b by Molmil](/molmil-images/mine/4z7b) | Structure of the enzyme-product complex resulting from TDG action on a GfC mismatch | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ... | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2015-04-07 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA. Nucleic Acids Res., 43, 2015
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3CR5
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![BU of 3cr5 by Molmil](/molmil-images/mine/3cr5) | X-ray structure of bovine Pnt-Zn(2+),Ca(2+)-S100B | Descriptor: | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, Protein S100-B, ... | Authors: | Charpentier, T.H. | Deposit date: | 2008-04-04 | Release date: | 2008-06-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Divalent metal ion complexes of S100B in the absence and presence of pentamidine. J.Mol.Biol., 382, 2008
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