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5FQT
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Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4.
分子名称: (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA
著者Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日2015-12-14
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
3SWI
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BU of 3swi by Molmil
E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct of PEP with CYS115
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid, MAGNESIUM ION, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2011-07-13
公開日2012-03-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWQ
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E. Cloacae MurA in complex with Enolpyruvyl-UNAG
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2011-07-14
公開日2012-03-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
5FQP
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BU of 5fqp by Molmil
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1.
分子名称: (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA
著者Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日2015-12-14
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
5FQR
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BU of 5fqr by Molmil
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 2.
分子名称: (E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR
著者Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日2015-12-14
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
5FQS
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BU of 5fqs by Molmil
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3.
分子名称: (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR
著者Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日2015-12-14
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
3A89
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BU of 3a89 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 4 hours)
分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A7Y
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BU of 3a7y by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide (soaking 2hours)
分子名称: (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
5FQV
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BU of 5fqv by Molmil
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5.
分子名称: (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA
著者Scott, J.S, bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
登録日2015-12-14
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
3TG0
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BU of 3tg0 by Molmil
E. coli alkaline phosphatase with bound inorganic phosphate
分子名称: Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Bobyr, E, Lassila, J.K, Wiersma-Koch, H.I, Fenn, T.D, Lee, J.J, Nikolic-Hughes, I, Hodgson, K.O, Rees, D.C, Hedman, B, Herschlag, D.
登録日2011-08-16
公開日2011-11-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution analysis of Zn(2+) coordination in the alkaline phosphatase superfamily by EXAFS and x-ray crystallography.
J.Mol.Biol., 415, 2012
3A81
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BU of 3a81 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 8 hours)
分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A7X
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BU of 3a7x by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A86
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BU of 3a86 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 30 seconds)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A7Z
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BU of 3a7z by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide (soaking 3hours)
分子名称: (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A8B
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BU of 3a8b by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((4-bromophenylimino)methyl)benzimidamide
分子名称: (E)-4-((4-bromophenylimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A84
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BU of 3a84 by Molmil
Crystal Structure of Trypsin complexed with(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 5 seconds)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
1PVF
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BU of 1pvf by Molmil
E.coli IPP isomerase in complex with diphosphate
分子名称: DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
著者Wouters, J, Durisotti, V, Oudjama, Y, Stalon, V, Droogmans, L.
登録日2003-06-27
公開日2004-07-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献E.coli Isopentenyl Diphosphate: Dimethylallyl Diphosphate isomerase in complex with diphosphate
To be Published
3CW6
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BU of 3cw6 by Molmil
E. coli Initiator tRNA
分子名称: Initiator tRNA
著者Barraud, P, Schmitt, E, Mechulam, Y, Dardel, F, Tisne, C.
登録日2008-04-21
公開日2008-09-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A unique conformation of the anticodon stem-loop is associated with the capacity of tRNAfMet to initiate protein synthesis.
Nucleic Acids Res., 36, 2008
7BRS
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BU of 7brs by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02
分子名称: 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y.
登録日2020-03-30
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SLB
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BU of 6slb by Molmil
Crystal structure of isomerase PaaG with trans-3,4-didehydroadipyl-CoA
分子名称: (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid, Enoyl-CoA hydratase/carnithine racemase
著者Saleem-Batcha, R, Spieker, M, Teufel, R.
登録日2019-08-19
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
3MUY
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BU of 3muy by Molmil
E. coli (lacZ) beta-galactosidase (R599A)
分子名称: Beta-D-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Dugdale, M.L, Vance, M, Driedger, M.L, Nibber, A, Tran, A, Huber, R.E.
登録日2010-05-03
公開日2011-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Importance of Arg-599 of beta-galactosidase (Escherichia coli) as an anchor for the open conformations of Phe-601 and the active-site loop
Biochem.Cell Biol., 88, 2010
1JKJ
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BU of 1jkj by Molmil
E. coli SCS
分子名称: COENZYME A, GLYCEROL, PHOSPHATE ION, ...
著者Fraser, M.E.
登録日2001-07-12
公開日2002-01-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Two glutamate residues, Glu 208 alpha and Glu 197 beta, are crucial for phosphorylation and dephosphorylation of the active-site histidine residue in succinyl-CoA synthetase.
Biochemistry, 41, 2002
5WLY
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BU of 5wly by Molmil
E. coli LpxH- 8 mutations
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Bohl, T.E, Aihara, H, Shi, K, Lee, J.K.
登録日2017-07-28
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The substrate-binding cap of the UDP-diacylglucosamine pyrophosphatase LpxH is highly flexible, enabling facile substrate binding and product release.
J. Biol. Chem., 293, 2018
7BTK
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BU of 7btk by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01
分子名称: 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y.
登録日2020-04-01
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
8KGW
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BU of 8kgw by Molmil
Molecular mechanism of prostaglandin transporter SLCO2A1
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Solute carrier organic anion transporter family member 2A1
著者Li, Y.H, Qu, Q.H, Zhu, Z.N, Chao, Y.L, Zhou, Z.X.
登録日2023-08-19
公開日2024-09-04
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Molecular mechanism of prostaglandin transporter SLCO2A1
To Be Published

238582

件を2025-07-09に公開中

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