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3GK4
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BU of 3gk4 by Molmil
X-ray structure of bovine SBi523,Ca(2+)-S100B
分子名称: CALCIUM ION, Protein S100-B, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
著者Charpentier, T.H, Weber, D.J, Toth, E.A.
登録日2009-03-09
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
3GK1
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BU of 3gk1 by Molmil
X-ray structure of bovine SBi132,Ca(2+)-S100B
分子名称: 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, CACODYLATE ION, CALCIUM ION, ...
著者Charpentier, T.H, Weber, D.J, Toth, E.A.
登録日2009-03-09
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
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
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Abeyawardhane, D.L, Pozharski, E.
登録日2022-09-21
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献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
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Abeyawardhane, D.L, Pozharski, E.
登録日2022-09-21
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published
2K7O
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BU of 2k7o by Molmil
Ca2+-S100B, refined with RDCs
分子名称: CALCIUM ION, Protein S100-B
著者Wright, N.T, Inman, K.G, Levine, J.A, Weber, D.J.
登録日2008-08-17
公開日2008-11-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refinement of the solution structure and dynamic properties of Ca(2+)-bound rat S100B.
J.Biomol.Nmr, 42, 2008
2LZF
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BU of 2lzf by Molmil
Structure of the biofilm matrix promoter AbbA from B. subtilis
分子名称: Uncharacterized protein ykzF
著者Bobay, B.G, Tucker, A.T, Losick, R, Cavanagh, J.
登録日2012-10-02
公開日2013-09-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A DNA Mimic: The Structure and Mechanism of Action for the Anti-Repressor Protein AbbA.
J.Mol.Biol., 426, 2014
7TC3
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BU of 7tc3 by Molmil
Human APE1 in the apo form
分子名称: 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2021-12-22
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.252 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2021-12-22
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
3CR4
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BU of 3cr4 by Molmil
X-ray structure of bovine Pnt,Ca(2+)-S100B
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, Protein S100-B
著者Charpentier, T.H.
登録日2008-04-04
公開日2008-08-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: CALCIUM ION, Protein S100-B, ZINC ION
著者Charpentier, T.H.
登録日2008-04-04
公開日2008-06-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
3CR5
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BU of 3cr5 by Molmil
X-ray structure of bovine Pnt-Zn(2+),Ca(2+)-S100B
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, Protein S100-B, ...
著者Charpentier, T.H.
登録日2008-04-04
公開日2008-06-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
4Z47
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BU of 4z47 by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GU mismatch in the presence of excess base
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DNA, ...
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-04-01
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
4Z7Z
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BU of 4z7z by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GT mismatch in the presence of excess base
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-04-08
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
4Z7B
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BU of 4z7b by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GfC mismatch
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-04-07
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
4Z3A
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BU of 4z3a by Molmil
Acetate-free structure of the enzyme-product complex resulting from TDG action on a GU mismatch
分子名称: DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-03-31
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
3LLE
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BU of 3lle by Molmil
X-ray structure of bovine SC0322,Ca(2+)-S100B
分子名称: 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine, CALCIUM ION, Protein S100-B
著者Charpentier, T.H, Weber, D.J, Wilder, P.W.
登録日2010-01-28
公開日2010-12-29
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, Protein S100-B
著者Charpentier, T.H, Weber, D.J, Wilder, P.W.
登録日2010-01-26
公開日2010-12-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010
3KO0
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BU of 3ko0 by Molmil
Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor
分子名称: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, Protein S100-A4
著者Malashkevich, V.N, Dulyaninova, N.G, Knight, D, Almo, S.C, Bresnick, A.R.
登録日2009-11-12
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phenothiazines inhibit S100A4 function by inducing protein oligomerization.
Proc.Natl.Acad.Sci.USA, 107, 2010
5CYS
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BU of 5cys by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GcaC mismatch
分子名称: ACETIC ACID, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-07-30
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Characterizing the enzyme-product complexes of thymine DNA glycosylase using crystallography and NMR
Nucleic Acids Res., 2015
5FF8
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BU of 5ff8 by Molmil
TDG enzyme-product complex
分子名称: DNA, G/T mismatch-specific thymine DNA glycosylase
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-12-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
3LK1
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X-ray structure of bovine SC0322,Ca(2+)-S100B
分子名称: 2-sulfanylbenzoic acid, CALCIUM ION, ETHYL MERCURY ION, ...
著者Charpentier, T.H, Weber, D.J, Wilder, P.W.
登録日2010-01-26
公開日2010-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010
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