1SKM
 
 | | HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site | | 分子名称: | 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-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 | 2024-02-14 | | 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
|
|
5ER4
 | | Crystal Structure of Calcium-loaded S100B bound to SC0025 | | 分子名称: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, Protein S100-B | | 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 | 2023-09-27 | | 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
|
|
5DKN
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4225 | | 分子名称: | 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), CALCIUM ION, Protein S100-B | | 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 | 2023-09-27 | | 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
|
|
5DKR
 | | Crystal Structure of Calcium-loaded S100B bound to SBi29 | | 分子名称: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide, CALCIUM ION, Protein S100-B | | 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 | 2023-09-27 | | 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
|
|
5ER5
 | | Crystal Structure of Calcium-loaded S100B bound to SC1990 | | 分子名称: | CALCIUM ION, ETHIDIUM, Protein S100-B | | 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 | 2023-09-27 | | 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
|
|
5DKQ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4214 | | 分子名称: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B | | 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 | 2023-09-27 | | 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
|
|
4FQO
 | | Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 | | 分子名称: | 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B | | 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 | 2024-03-13 | | 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
|
|
5V91
 | | 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 | 2023-10-04 | | 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
|
|
5V3D
 | | Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae with bound fosfomycin | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FOSFOMYCIN, ... | | 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 | 2023-10-04 | | 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
|
|
5VB0
 | | 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 | 2023-10-04 | | 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
|
|
6UWI
 | |
6UWT
 | |
6UWR
 | |
6UWO
 | |
3UFJ
 | | Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-fluoro-2'-deoxyuridine | | 分子名称: | 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*GP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(UF2)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase | | 著者 | Pozharski, E, Maiti, A, Drohat, A.C. | | 登録日 | 2011-11-01 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.967 Å) | | 主引用文献 | Lesion processing by a repair enzyme is severely curtailed by residues needed to prevent aberrant activity on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3E27
 | |
3CR4
 | | 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
 | |
3CR5
 | |
3HFJ
 | | Bacillus anthracis nicotinate mononucleotide adenylytransferase (nadD) in complex with inhibitor CID 3289443 | | 分子名称: | 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide, CALCIUM ION, Nicotinate (Nicotinamide) nucleotide adenylyltransferase | | 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 | 2024-02-21 | | 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
|
|
3GK2
 | | X-ray structure of bovine SBi279,Ca(2+)-S100B | | 分子名称: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, 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 (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
 | | 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
 | | 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
|
|
3LLE
 | | 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
|
|
3LGH
 | |
