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7MLK
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BU of 7mlk by Molmil
Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution
分子名称: 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C.
登録日2021-04-28
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity
To Be Published
1JQ5
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BU of 1jq5 by Molmil
Bacillus Stearothermophilus Glycerol dehydrogenase complex with NAD+
分子名称: Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Ruzheinikov, S.N, Burke, J, Sedelnikova, S, Baker, P.J, Taylor, R, Bullough, P.A, Muir, N.M, Gore, M.G, Rice, D.W.
登録日2001-08-03
公開日2001-10-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Structure, 9, 2001
1JPU
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BU of 1jpu by Molmil
Crystal Structure of Bacillus Stearothermophilus Glycerol Dehydrogenase
分子名称: ZINC ION, glycerol dehydrogenase
著者Ruzheinikov, S.N, Burke, J, Sedelnikova, S, Baker, P.J, Taylor, R, Bullough, P.A, Muir, N.M, Gore, M.G, Rice, D.W.
登録日2001-08-03
公開日2001-10-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Structure, 9, 2001
1JQA
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Bacillus stearothermophilus glycerol dehydrogenase complex with glycerol
分子名称: GLYCEROL, Glycerol Dehydrogenase, ZINC ION
著者Ruzheinikov, S.N, Burke, J, Sedelnikova, S, Baker, P.J, Taylor, R, Bullough, P.A, Muir, N.M, Gore, M.G, Rice, D.W.
登録日2001-08-04
公開日2001-10-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Structure, 9, 2001
1GJW
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BU of 1gjw by Molmil
Thermotoga maritima maltosyltransferase complex with maltose
分子名称: MALTODEXTRIN GLYCOSYLTRANSFERASE, PHOSPHATE ION, alpha-D-glucopyranose, ...
著者Roujeinikova, A, Raasch, C, Burke, J, Baker, P.J, Liebl, W, Rice, D.W.
登録日2001-08-03
公開日2001-09-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of Thermotoga Maritima Maltosyltransferase and its Implications for the Molecular Basis of the Novel Transfer Specificity
J.Mol.Biol., 312, 2001
1GJU
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Maltosyltransferase from Thermotoga maritima
分子名称: MALTODEXTRIN GLYCOSYLTRANSFERASE, PHOSPHATE ION
著者Roujeinikova, A, Raasch, C, Burke, J, Baker, P.J, Liebl, W, Rice, D.W.
登録日2001-08-02
公開日2001-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of Thermotoga Maritima Maltosyltransferase and its Implications for the Molecular Basis of the Novel Transfer Specificity
J.Mol.Biol., 312, 2001
3L0H
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BU of 3l0h by Molmil
Crystal Structure Analysis of W21A mutant of human GSTA1-1 in complex with S-hexylglutathione
分子名称: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
著者Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Burke, J.P, Dirr, H.W.
登録日2009-12-10
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Stability of the domain interface contributes towards the catalytic function at the H-site of class alpha glutathione transferase A1-1.
Biochim.Biophys.Acta, 1804, 2010
3KTL
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BU of 3ktl by Molmil
Crystal Structure of an I71A human GSTA1-1 mutant in complex with S-hexylglutathione
分子名称: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
著者Achilonu, I.A, Gildenhuys, S, Fernandes, M.A, Fanucchi, S, Dirr, H.W.
登録日2009-11-25
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function.
Acta Crystallogr.,Sect.F, 66, 2010
2R3X
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Crystal structure of an R15L hGSTA1-1 mutant complexed with S-hexyl-glutathione
分子名称: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
著者Burke, J.P.W.G, Kinsley, N, Sayed, M, Sewell, T, Dirr, H.W.
登録日2007-08-30
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Arginine 15 stabilizes an S(N)Ar reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1.
Biophys.Chem., 146, 2010
2R6K
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BU of 2r6k by Molmil
Crystal structure of an I71V hGSTA1-1 mutant in complex with S-hexylglutathione
分子名称: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
著者Dirr, H.W, Fisher, L, Burke, J.P.W.G, Sayed, M, Sewell, T.
登録日2007-09-06
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function.
Acta Crystallogr.,Sect.F, 66, 2010
2B5W
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BU of 2b5w by Molmil
Crystal structure of D38C glucose dehydrogenase mutant from Haloferax mediterranei
分子名称: CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
著者Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W.
登録日2005-09-29
公開日2006-04-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2B5V
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BU of 2b5v by Molmil
Crystal structure of glucose dehydrogenase from Haloferax mediterranei
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, glucose dehydrogenase
著者Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W.
登録日2005-09-29
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3SXS
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BU of 3sxs by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complexed with PP2
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Cytoplasmic tyrosine-protein kinase BMX
著者Sack, J, Muckelbauer, J.
登録日2011-07-15
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
3SXR
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BU of 3sxr by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complex with dasatinib
分子名称: Cytoplasmic tyrosine-protein kinase BMX, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION
著者Sack, J, Muckelbauer, J.
登録日2011-07-15
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
1F8G
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THE X-RAY STRUCTURE OF NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE FROM RHODOSPIRILLUM RUBRUM COMPLEXED WITH NAD+
分子名称: NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Buckley, P.A, Baz Jackson, J, Schneider, T, White, S.A, Rice, D.W, Baker, P.J.
登録日2000-06-30
公開日2001-06-30
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-protein recognition, hydride transfer and proton pumping in the transhydrogenase complex.
Structure Fold.Des., 8, 2000

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