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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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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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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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
 | | 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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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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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
 | | 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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2Q91
 | | Structure of the Ca2+-Bound Activated Form of the S100A4 Metastasis Factor | | Descriptor: | CALCIUM ION, S100A4 Metastasis Factor | | Authors: | Malashkevich, V.N, Knight, D, Ramagopal, U.A, Almo, S.C, Bresnick, A.R. | | Deposit date: | 2007-06-12 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure of Ca(2+)-Bound S100A4 and Its Interaction with Peptides Derived from Nonmuscle Myosin-IIA.
Biochemistry, 47, 2008
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6UWI
 | | Crystal structure of the Clostridium difficile translocase CDTb | | Descriptor: | ADP-ribosyltransferase binding component, CALCIUM ION | | Authors: | Pozharski, E. | | Deposit date: | 2019-11-05 | | Release date: | 2020-01-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6UWR
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6UWT
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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
 | | 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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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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4DIR
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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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6UWO
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3LLE
 | | X-ray structure of bovine SC0322,Ca(2+)-S100B | | Descriptor: | 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine, CALCIUM ION, Protein S100-B | | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | Deposit date: | 2010-01-28 | | Release date: | 2010-12-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 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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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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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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3LK1
 | | X-ray structure of bovine SC0322,Ca(2+)-S100B | | Descriptor: | 2-sulfanylbenzoic acid, CALCIUM ION, ETHYL MERCURY ION, ... | | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | Deposit date: | 2010-01-26 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.79 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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5CYS
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