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1XYD
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BU of 1xyd by Molmil
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:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of Zinc- and Calcium-Bound Rat S100B as Determined by Nuclear Magnetic Resonance Spectroscopy
Biochemistry, 44, 2005
5TBX
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BU of 5tbx by Molmil
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
1ZFS
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BU of 1zfs by Molmil
Solution structure of S100A1 bound to calcium
Descriptor: CALCIUM ION, S-100 protein, alpha chain
Authors:Wright, N.T, Varney, K.M, Weber, D.J.
Deposit date:2005-04-20
Release date:2006-04-11
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The three-dimensional solution structure of Ca(2+)-bound S100A1 as determined by NMR spectroscopy
J.Mol.Biol., 353, 2006
2JVU
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BU of 2jvu by Molmil
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
2K2F
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BU of 2k2f by Molmil
Solution structure of Ca2+-S100A1-RyRP12
Descriptor: CALCIUM ION, Protein S100-A1, Ryanodine receptor 1 peptide
Authors:Wright, N.T, Varney, K.M, Weber, D.J.
Deposit date:2008-04-01
Release date:2008-07-29
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:S100A1 and Calmodulin Compete for the Same Binding Site on Ryanodine Receptor.
J.Biol.Chem., 283, 2008
2JUB
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BU of 2jub by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Restriction endonuclease inhibitor IPI* of bacteriophage T4: a novel structure for a dedicated target.
J.Mol.Biol., 375, 2008
2KBM
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BU of 2kbm by Molmil
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:2018-08-08
Method:SOLUTION NMR
Cite:Solution structure of Ca-S100A1-TRTK12
To be Published
5DKR
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BU of 5dkr by Molmil
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
5DKQ
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BU of 5dkq by Molmil
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
5DKN
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BU of 5dkn by Molmil
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
5HF7
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BU of 5hf7 by Molmil
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
3RLZ
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BU of 3rlz by Molmil
2.0 Angstrom X-ray structure of bovine Ca(2+)-S100B D63N
Descriptor: CALCIUM ION, Protein S100-B
Authors:Liriano, M.A, Weber, D.J.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The effects of CapZ peptide (TRTK12) on the protein dynamics of S100B and S100B D63N
To be Published
5JXY
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BU of 5jxy by Molmil
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
2LZF
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BU of 2lzf by Molmil
Structure of the biofilm matrix promoter AbbA from B. subtilis
Descriptor: Uncharacterized protein ykzF
Authors:Bobay, B.G, Tucker, A.T, Losick, R, Cavanagh, J.
Deposit date:2012-10-02
Release date:2013-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A DNA Mimic: The Structure and Mechanism of Action for the Anti-Repressor Protein AbbA.
J.Mol.Biol., 426, 2014
2Q91
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BU of 2q91 by Molmil
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
7TC3
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BU of 7tc3 by Molmil
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
7TC2
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BU of 7tc2 by Molmil
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
8EKL
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BU of 8ekl by Molmil
Clostridioides difficile binary toxin translocase CDTb wild-type after calcium depletion from receptor binding domain 1 (RBD1) - Class 1
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Abeyawardhane, D.L, Pozharski, E.
Deposit date:2022-09-21
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published
8EKM
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BU of 8ekm by Molmil
Clostridioides difficile binary toxin translocase CDTb double mutant - D623A D734A
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Abeyawardhane, D.L, Pozharski, E.
Deposit date:2022-09-21
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published
8EKK
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BU of 8ekk by Molmil
Clostridioides difficile binary toxin translocase CDTb wild-type after calcium depletion from receptor binding domain 1 (RBD1) - Class 2
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Abeyawardhane, D.L, Pozharski, E.
Deposit date:2022-09-21
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published
4DIR
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BU of 4dir by Molmil
2.6 Angstrom X-ray structure of human CA(2+)-S100A5
Descriptor: CALCIUM ION, Protein S100-A5
Authors:Liriano, M.A, Toth, E.A, Weber, D.J.
Deposit date:2012-01-31
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Target-binding to S100A5 changes Ca(2+)-binding affinity and dynamics.
To be Published
3LK1
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BU of 3lk1 by Molmil
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
3LK0
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BU of 3lk0 by Molmil
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:2022-10-12
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
3CR5
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BU of 3cr5 by Molmil
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
3CR2
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BU of 3cr2 by Molmil
X-ray structure of bovine Zn(2+),Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B, ZINC ION
Authors:Charpentier, T.H.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008

 

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