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3MI7
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An Enhanced Repressor of Human Papillomavirus E2 Protein
分子名称: 1,2-ETHANEDIOL, Regulatory protein E2
著者Bohm, A, Baleja, J, Bose, K, Meinke, G.
登録日2010-04-09
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and characterization of an enhanced repressor of human papillomavirus E2 protein.
Faseb J., 25, 2011
1NCN
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BU of 1ncn by Molmil
the receptor-binding domain of human B7-2
分子名称: T lymphocyte activation antigen CD86
著者Zhang, X, Schwartz, J.D, Almo, S.C, Nathenson, S.G.
登録日2002-12-05
公開日2003-03-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the Receptor-Binding Domain of Human B7-2: Insights into Organization and Signaling
Proc.Natl.Acad.Sci.USA, 100, 2003
1NDG
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BU of 1ndg by Molmil
Crystal structure of Fab fragment of antibody HyHEL-8 complexed with its antigen lysozyme
分子名称: ACETIC ACID, Lysozyme C, antibody kappa light chain, ...
著者Mariuzza, R.A, Li, Y, Li, H, Yang, F, Smith-Gill, S.J.
登録日2002-12-09
公開日2003-06-03
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray snapshots of the maturation of an antibody response to a protein antigen
Nat.Struct.Biol., 10, 2003
6CQ5
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BU of 6cq5 by Molmil
TBK1 in Complex with Sulfone Analog of Amlexanox
分子名称: 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2018-03-14
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.354 Å)
主引用文献Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
4LHB
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BU of 4lhb by Molmil
Crystal structure of tungsten cofactor synthesizing protein MoaB from Pyrococcus furiosus
分子名称: Molybdopterin adenylyltransferase, SULFATE ION
著者Havarushka, N, Schwarz, G.
登録日2013-07-01
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Thermal Stability of the Tungsten Cofactor Synthesis Protein MoaB from Pyrococcus furiosus.
Plos One, 9, 2014
4NBN
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Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N5D
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BU of 4n5d by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ...
著者Murray, J.M, Steffek, M.
登録日2013-10-09
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
6CQ4
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BU of 6cq4 by Molmil
TBK1 in Complex with Cyclohexyl Analog of Amlexanox
分子名称: 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2018-03-14
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
3RMZ
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BU of 3rmz by Molmil
Crystal Structure of the W199F-MauG/pre-Methylamine Dehydrogenase Complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
著者Jensen, L.M.R, Wilmot, C.M.
登録日2011-04-21
公開日2011-10-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Mutagenesis of tryptophan199 suggests that hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4COO
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BU of 4coo by Molmil
Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ...
著者McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-01-29
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
6BNY
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BU of 6bny by Molmil
TBK1 in complex with tetrazole analog of amlexanox
分子名称: 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2017-11-17
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.341 Å)
主引用文献Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
2WKT
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BU of 2wkt by Molmil
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316A MUTANT WITH COENZYME A.
分子名称: ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ...
著者Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K.
登録日2009-06-18
公開日2009-11-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
3RV3
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BU of 3rv3 by Molmil
Crystal structure of E.coli biotin carboxylase in complex with two ADP and one Mg ion
分子名称: ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, MAGNESIUM ION
著者Chou, C.Y, Tong, L.
登録日2011-05-05
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural and biochemical studies on the regulation of biotin carboxylase by substrate inhibition and dimerization.
J.Biol.Chem., 286, 2011
3FSR
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BU of 3fsr by Molmil
Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, NADP-dependent alcohol dehydrogenase, ...
著者Frolow, F, Greenblatt, H, Goihberg, E, Burstein, Y.
登録日2009-01-11
公開日2010-01-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms
Biochemistry, 49, 2010
4R9H
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BU of 4r9h by Molmil
Crystal structure of dimeric S33C beta-2 microglobulin mutant at 1.9 Angstrom resolution
分子名称: Beta-2-microglobulin
著者Halabelian, L, Bolognesi, M, Ricagno, S.
登録日2014-09-05
公開日2015-09-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A covalent homodimer probing early oligomers along amyloid aggregation.
Sci Rep, 5, 2015
4EP5
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BU of 4ep5 by Molmil
Thermus thermophilus RuvC structure
分子名称: Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, SULFATE ION
著者Chen, L, Shi, K, Yin, Z.Q, Aihara, H.
登録日2012-04-17
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution.
Nucleic Acids Res., 41, 2013
6CQ0
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BU of 6cq0 by Molmil
TBK1 in Complex with Dimethyl Amino Analog of Amlexanox
分子名称: 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2018-03-14
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
3FTN
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BU of 3ftn by Molmil
Q165E/S254K Double Mutant Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Frolow, F, Goihberg, E, Shimon, L, Burstein, Y.
登録日2009-01-13
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms.
Biochemistry, 49, 2010
1NH9
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Crystal Structure of a DNA Binding Protein Mja10b from the hyperthermophile Methanococcus jannaschii
分子名称: DNA-binding protein Alba
著者Wang, G, Bartlam, M, Guo, R, Yang, H, Xue, H, Liu, Y, Huang, L, Rao, Z.
登録日2002-12-19
公開日2003-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a DNA binding protein from the hyperthermophilic euryarchaeon Methanococcus jannaschii
Protein Sci., 12, 2003
2CG8
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BU of 2cg8 by Molmil
The bifunctional dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase from Streptococcus pneumoniae
分子名称: DIHYDRONEOPTERIN ALDOLASE 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN SYNTHASE
著者Garcon, A, Levy, C, Derrick, J.P.
登録日2006-02-28
公開日2006-06-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Bifunctional Dihydroneopterin Aldolase/6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Streptococcus Pneumoniae.
J.Mol.Biol., 360, 2006
4RAH
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BU of 4rah by Molmil
Crystal structure of dimeric S33C beta-2 microglobulin mutant at 1.4 Angstrom resolution
分子名称: Beta-2-microglobulin
著者Halabelian, L, Bolognesi, M, Ricagno, S.
登録日2014-09-10
公開日2015-09-16
最終更新日2015-11-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A covalent homodimer probing early oligomers along amyloid aggregation.
Sci Rep, 5, 2015
1NDM
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BU of 1ndm by Molmil
Crystal structure of Fab fragment of antibody HyHEL-26 complexed with lysozyme
分子名称: Lysozyme C, antibody kappa light chain, immunoglobulin gamma 1 chain
著者Mariuzza, R.A, Li, Y, Li, H.
登録日2002-12-09
公開日2003-06-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray snapshots of the maturation of an antibody response to a protein antigen
Nat.Struct.Biol., 10, 2003
3MFC
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BU of 3mfc by Molmil
Computationally designed end0-1,4-beta,xylanase
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者Morin, A, Harp, J.M.
登録日2010-04-01
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
3MF6
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BU of 3mf6 by Molmil
Computationally designed endo-1,4-beta-xylanase
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者Morin, A, Harp, J.M.
登録日2010-04-01
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
3PCX
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BU of 3pcx by Molmil
Caspase-3 E246A, K242A Double Mutant
分子名称: Caspase-3, Inhibitor Ac-DEVD-CMK
著者Walters, J, Swartz, P, Mattos, C, Clark, A.C.
登録日2010-10-22
公開日2011-02-23
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011

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