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4XKS
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BU of 4xks by Molmil
E. coli BFR variant Y45F
分子名称: Bacterioferritin, SULFATE ION
著者Hemmings, A.M, Le Brun, N.E, Bradley, J.M.
登録日2015-01-12
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Three Aromatic Residues are Required for Electron Transfer during Iron Mineralization in Bacterioferritin.
Angew.Chem.Int.Ed.Engl., 54, 2015
6QF6
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BU of 6qf6 by Molmil
Structure of an E.coli expressed anti-Mcl1 scFv
分子名称: E.coli expressed scFv
著者Luptak, J.
登録日2019-01-09
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of an E.coli expressed anti-Mcl1 scFv
To Be Published
6DNC
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BU of 6dnc by Molmil
E.coli RF1 bound to E.coli 70S ribosome in response to UAU sense A-site codon
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Svidritskiy, E, Demo, G, Korostelev, A.A.
登録日2018-06-06
公開日2018-07-04
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanism of premature translation termination on a sense codon.
J. Biol. Chem., 293, 2018
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
2NSL
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BU of 2nsl by Molmil
E. coli PurE H45N mutant complexed with CAIR
分子名称: 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, Phosphoribosylaminoimidazole carboxylase catalytic subunit
著者Ealick, S.E, Morar, M.
登録日2006-11-04
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N(5)-CAIR Mutase: Role of a CO(2) Binding Site and Substrate Movement in Catalysis.
Biochemistry, 46, 2007
8B8H
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BU of 8b8h by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS
分子名称: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ...
著者de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
登録日2022-10-04
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
5FQP
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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
2NSH
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BU of 2nsh by Molmil
E. coli PurE H45Q mutant complexed with nitro-AIR
分子名称: ((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1H-IMIDAZOL-1-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE, Phosphoribosylaminoimidazole carboxylase catalytic subunit
著者Ealick, S.E, Morar, M.
登録日2006-11-04
公開日2007-04-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献N(5)-CAIR Mutase: Role of a CO(2) Binding Site and Substrate Movement in Catalysis.
Biochemistry, 46, 2007
6LFC
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BU of 6lfc by Molmil
E. coli Thioesterase I mutant DG
分子名称: Acyl-CoA thioesterase I also functions as protease I
著者Deng, X, Chen, L, Yang, G.
登録日2019-12-01
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Metab. Eng., 61, 2020
5VPN
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BU of 5vpn by Molmil
E. coli Quinol fumarate reductase FrdA E245Q mutation
分子名称: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Starbird, C.A, Maklashina, E, Sharma, P, Qualls-Histed, S, Cecchini, G, Iverson, T.M.
登録日2017-05-05
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.2232 Å)
主引用文献Structural and biochemical analyses reveal insights into covalent flavinylation of the Escherichia coli Complex II homolog quinol:fumarate reductase.
J. Biol. Chem., 292, 2017
2NSJ
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BU of 2nsj by Molmil
E. coli PurE H45Q mutant complexed with CAIR
分子名称: 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, Phosphoribosylaminoimidazole carboxylase catalytic subunit
著者Ealick, S.E, Morar, M.
登録日2006-11-04
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献N(5)-CAIR Mutase: Role of a CO(2) Binding Site and Substrate Movement in Catalysis.
Biochemistry, 46, 2007
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
6TNM
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BU of 6tnm by Molmil
E. coli aerobic trifunctional enzyme subunit-alpha
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Fatty acid oxidation complex subunit alpha, GLYCEROL, ...
著者Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R.
登録日2019-12-09
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Insights into the stability and substrate specificity of the E. coli aerobic beta-oxidation trifunctional enzyme complex.
J.Struct.Biol., 210, 2020
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
5FQT
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BU of 5fqt by Molmil
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
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
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
4XKT
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BU of 4xkt by Molmil
E coli BFR variant Y149F
分子名称: Bacterioferritin, SULFATE ION
著者Bradley, J.M, Hemmings, A.M, Le Brun, N.E.
登録日2015-01-12
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Three Aromatic Residues are Required for Electron Transfer during Iron Mineralization in Bacterioferritin.
Angew.Chem.Int.Ed.Engl., 54, 2015
4XS3
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BU of 4xs3 by Molmil
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
分子名称: (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
登録日2015-01-21
公開日2016-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.291 Å)
主引用文献Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
7DPS
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BU of 7dps by Molmil
E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-21
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7LBA
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BU of 7lba by Molmil
E. coli Agmatinase
分子名称: Agmatinase, MANGANESE (II) ION
著者Chitrakar, I, Ahmed, S.F, Torelli, A.T, French, J.B.
登録日2021-01-07
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the E. coli agmatinase, SPEB.
Plos One, 16, 2021
6HJK
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BU of 6hjk by Molmil
Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2
分子名称: (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ...
著者Bayliss, R, McIntyre, P.J.
登録日2018-09-04
公開日2018-10-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
3V4T
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E. cloacae C115D MURA liganded with UNAG
分子名称: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2011-12-15
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 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
6EN9
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E. coli Hydrogenase-2 (hydrogen reduced form)
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ...
著者Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A.
登録日2017-10-04
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping.
Biochem. J., 475, 2018
6EHQ
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E. coli Hydrogenase-2 (as isolated form).
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ...
著者Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A.
登録日2017-09-14
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping.
Biochem. J., 475, 2018

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