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1SKM
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HHAI METHYLTRANSFERASE IN COMPLEX WITH DNA CONTAINING AN ABASIC SOUTH CARBOCYCLIC SUGAR AT ITS TARGET SITE
分子名称:5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', Modification methylase HhaI, ...
著者Horton, J.R., Ratner, G., Banavali, N., Huang, N., Marquez, V.E., MacKerell, A.D., Cheng, X.
登録日2004-03-05
公開日2004-08-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase
Nucleic Acids Res., 32, 2004
5DKN
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SBI4225
分子名称:Protein S100-B, CALCIUM ION, 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole)
著者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.
登録日2015-09-03
公開日2016-01-20
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
5DKQ
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SBI4214
分子名称:Protein S100-B, CALCIUM ION, 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine
著者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.
登録日2015-09-03
公開日2016-01-20
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
5DKR
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SBI29
分子名称:Protein S100-B, CALCIUM ION, 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
著者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.
登録日2015-09-03
公開日2016-01-20
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.742 Å)
主引用文献Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
5ER4
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SC0025
分子名称:Protein S100-B, CALCIUM ION, 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol
著者Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D., Weber, D.J.
登録日2015-11-13
公開日2016-06-08
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.813 Å)
主引用文献Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
5ER5
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SC1990
分子名称:Protein S100-B, CALCIUM ION, ETHIDIUM
著者Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D., Weber, D.J.
登録日2015-11-13
公開日2016-06-08
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
4FQO
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CRYSTAL STRUCTURE OF CALCIUM-LOADED S100B BOUND TO SBI4211
分子名称:Protein S100-B, CALCIUM ION, 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
著者McKnight, L.E., Raman, E.P., Bezawada, P., Kudrimoti, S., Wilder, P.T., Hartman, K.G., Toth, E.A., Coop, A., MacKerrell, A.D., Weber, D.J.
登録日2012-06-25
公開日2012-10-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
5V3D
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CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE PROTEIN FROM KLEBSIELLA PNEUMONIAE WITH BOUND FOSFOMYCIN
分子名称:Fosfomycin resistance protein, MANGANESE (II) ION, POTASSIUM ION, ...
著者Klontz, E., Guenther, S., Silverstein, Z., Sundberg, E.
登録日2017-03-07
公開日2017-08-30
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli.
Antimicrob. Agents Chemother., 61, 2017
5V91
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CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE PROTEIN FROM KLEBSIELLA PNEUMONIAE
分子名称:Fosfomycin resistance protein, ZINC ION
著者Klontz, E., Guenther, S., Silverstein, Z., Sundberg, E.
登録日2017-03-22
公開日2017-08-30
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli.
Antimicrob. Agents Chemother., 61, 2017
5VB0
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CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE PROTEIN FOSA3
分子名称:Fosfomycin resistance protein FosA3, MANGANESE (II) ION, NICKEL (II) ION
著者Klontz, E., Guenther, S., Silverstein, Z., Sundberg, E.
登録日2017-03-28
公開日2017-08-30
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.689 Å)
主引用文献Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli.
Antimicrob. Agents Chemother., 61, 2017
3CR2
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X-RAY STRUCTURE OF BOVINE ZN(2+),CA(2+)-S100B
分子名称:Protein S100-B, CALCIUM ION, ZINC ION
著者Charpentier, T.H.
登録日2008-04-04
公開日2008-06-24
最終更新日2017-10-25
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
3CR4
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X-RAY STRUCTURE OF BOVINE PNT,CA(2+)-S100B
分子名称:Protein S100-B, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION
著者Charpentier, T.H.
登録日2008-04-04
公開日2008-08-05
最終更新日2017-10-25
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
3CR5
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X-RAY STRUCTURE OF BOVINE PNT-ZN(2+),CA(2+)-S100B
分子名称:Protein S100-B, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, ZINC ION, ...
著者Charpentier, T.H.
登録日2008-04-04
公開日2008-06-24
最終更新日2017-10-25
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
3E27
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NICOTINIC ACID MONONUCLEOTIDE (NAMN) ADENYLYLTRANSFERASE FROM BACILLUS ANTHRACIS: PRODUCT COMPLEX
分子名称:Nicotinate (Nicotinamide) nucleotide adenylyltransferase, NICOTINIC ACID ADENINE DINUCLEOTIDE, MAGNESIUM ION
著者Martynowski, D., Eyobo, Y., Zhang, H.
登録日2008-08-05
公開日2008-09-09
最終更新日2014-06-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD.
Chem.Biol., 16, 2009
3GK1
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X-RAY STRUCTURE OF BOVINE SBI132,CA(2+)-S100B
分子名称:Protein S100-B, CALCIUM ION, 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, ...
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2017-11-01
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
3GK2
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X-RAY STRUCTURE OF BOVINE SBI279,CA(2+)-S100B
分子名称:Protein S100-B, CALCIUM ION, (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, ...
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2017-11-01
実験手法X-RAY DIFFRACTION (1.984 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
3GK4
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X-RAY STRUCTURE OF BOVINE SBI523,CA(2+)-S100B
分子名称:Protein S100-B, CALCIUM ION, 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2017-11-01
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
3HFJ
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BACILLUS ANTHRACIS NICOTINATE MONONUCLEOTIDE ADENYLYTRANSFERASE (NADD) IN COMPLEX WITH INHIBITOR CID 3289443
分子名称:Nicotinate (Nicotinamide) nucleotide adenylyltransferase, 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide, CALCIUM ION
著者Zhang, H., Huang, N., Eyobo, Y.
登録日2009-05-11
公開日2009-09-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD.
Chem.Biol., 16, 2009
3LBZ
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN COMPLEXED WITH THE SMALL MOLECULE INHIBITOR 79-6
分子名称:B-cell lymphoma 6 protein, N-[(4-bromophenyl)sulfonyl]acetamide, (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
著者Ghetu, A.F., Prive, G.G.
登録日2010-01-08
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo.
Cancer Cell, 17, 2010
3LGH
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CRYSTAL STRUCTURE OF NIKR FROM HELICOBACTER PYLORI WITH VARIABLE NI SITE COORDINATION
分子名称:nickel-responsive regulator, NICKEL (II) ION, MAGNESIUM ION
著者Pozharski, E., St John, F.
登録日2010-01-20
公開日2010-09-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Holo-Ni(II)HpNikR Is an Asymmetric Tetramer Containing Two Different Nickel-Binding Sites.
J.Am.Chem.Soc., 132, 2010
3LK0
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X-RAY STRUCTURE OF BOVINE SC0067,CA(2+)-S100B
分子名称:Protein S100-B, CALCIUM ION, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
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2018-04-04
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
3LK1
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X-RAY STRUCTURE OF BOVINE SC0322,CA(2+)-S100B
分子名称:Protein S100-B, 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2017-11-01
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
3LLE
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X-RAY STRUCTURE OF BOVINE SC0322,CA(2+)-S100B
分子名称:Protein S100-B, CALCIUM ION, 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine
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
3MLA
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BANADD IN COMPLEX WITH INHIBITOR 1_02
分子名称:nicotinate-nucleotide adenylyltransferase, 4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide, FORMIC ACID, ...
著者Huang, N., Eyobo, Y., Zhang, H.
登録日2010-04-16
公開日2010-07-28
最終更新日2014-06-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.
J.Med.Chem., 53, 2010
3MLB
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BANADD IN COMPLEX WITH INHIBITOR 1_02_1
分子名称:nicotinate-nucleotide adenylyltransferase, POTASSIUM ION, FORMIC ACID, ...
著者Huang, N., Zhang, H., Eyobo, Y.
登録日2010-04-16
公開日2010-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.
J.Med.Chem., 53, 2010
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