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3M79
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BU of 3m79 by Molmil
A tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces crystallized in the presence of Cu(II) and Zn(II)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
著者Brodin, J.D, Tezcan, F.A.
登録日2010-03-16
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of metal selectivity in templated protein interfaces.
J.Am.Chem.Soc., 132, 2010
4ARR
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BU of 4arr by Molmil
Crystal structure of the N-terminal domain of Drosophila Toll receptor with the magic triangle I3C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, TOLL RECEPTOR, ...
著者Gangloff, M, Gay, N.J.
登録日2012-04-26
公開日2013-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Liesegang-Like Patterns of Toll Crystals Grown in Gel.
J.Appl.Crystallogr., 46, 2013
5Y95
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BU of 5y95 by Molmil
Haddock model of mSIN3B PAH1 domain
分子名称: Paired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate
著者Kurita, J, Hirao, Y, Nishimura, Y.
登録日2017-08-22
公開日2017-10-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models.
Bioorg. Med. Chem. Lett., 27, 2017
3D30
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BU of 3d30 by Molmil
Structure of an expansin like protein from Bacillus Subtilis at 1.9A resolution
分子名称: Expansin like protein, FORMIC ACID, GLYCEROL
著者Kerff, F, Petrella, S, Herman, R, Sauvage, E, Joris, B, Charlier, P.
登録日2008-05-09
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and activity of Bacillus subtilis YoaJ (EXLX1), a bacterial expansin that promotes root colonization.
Proc.Natl.Acad.Sci.USA, 105, 2008
2MN2
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BU of 2mn2 by Molmil
3D structure of YmoB, a modulator of biofilm formation
分子名称: YmoB
著者Marimon, O, Cordeiro, T.N, Amata, I, Pons, M.
登録日2014-03-26
公開日2015-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An oxygen-sensitive toxin-antitoxin system.
Nat Commun, 7, 2016
5O59
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BU of 5o59 by Molmil
Cellobiohydrolase Cel7A from T. atroviride
分子名称: 1-thio-beta-D-glucopyranose, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Borisova, A.S, Stahlberg, J, Hansson, H.
登録日2017-06-01
公開日2018-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum.
Biotechnol Biofuels, 11, 2018
5O5D
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BU of 5o5d by Molmil
Cellobiohydrolase Cel7A from T. atroviride
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Borisova, A.S, Stahlberg, J, Hansson, H.
登録日2017-06-01
公開日2018-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum.
Biotechnol Biofuels, 11, 2018
1Q38
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BU of 1q38 by Molmil
Anastellin
分子名称: Fibronectin
著者Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R.
登録日2003-07-28
公開日2003-11-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors
J.Mol.Biol., 332, 2003
4ARN
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BU of 4arn by Molmil
Crystal structure of the N-terminal domain of Drosophila Toll receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ...
著者Gangloff, M, Gay, N.J.
登録日2012-04-25
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Functional Insights from the Crystal Structure of the N-Terminal Domain of the Prototypical Toll Receptor.
Structure, 21, 2013
2ZN7
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BU of 2zn7 by Molmil
CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes
分子名称: 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W, Wu, J.
登録日2008-04-22
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
3AII
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BU of 3aii by Molmil
Archaeal non-discriminating glutamyl-tRNA synthetase from Methanothermobacter thermautotrophicus
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ...
著者Nureki, O, Ishitani, R.
登録日2010-05-14
公開日2010-08-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of an archaeal non-discriminating glutamyl-tRNA synthetase: a missing link in the evolution of Gln-tRNAGln formation
Nucleic Acids Res., 2010
3SJT
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BU of 3sjt by Molmil
Crystal structure of human arginase I in complex with the inhibitor Me-ABH, Resolution 1.60 A, twinned structure
分子名称: Arginase-1, MANGANESE (II) ION, [(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate
著者Di Costanzo, L, Christianson, D.W.
登録日2011-06-21
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
2VWU
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BU of 2vwu by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Rowsell, S, Packer, M, McAlister, M.
登録日2008-06-27
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
2VWV
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BU of 2vwv by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Kettle, J.G, Leach, A.G.
登録日2008-06-27
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
2ZMM
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BU of 2zmm by Molmil
Crystal structure of PTP1B-inhibitor complex
分子名称: 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Xu, W, Wu, J.
登録日2008-04-19
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
1RT8
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BU of 1rt8 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN
分子名称: SULFATE ION, fimbrin
著者Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C.
登録日2003-12-10
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
2VWW
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BU of 2vww by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-27
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008

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