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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2023-11-01
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2023-11-01
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
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2023-11-01
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
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2023-11-01
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
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
3SWA
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BU of 3swa by Molmil
E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115
分子名称: 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Han, H, Zhu, J.-Y, Schonbrunn, E.
登録日2011-07-13
公開日2012-03-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 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
3SU9
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BU of 3su9 by Molmil
E. Cloacae MURA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115
分子名称: (2R)-2-{[(2R,3R,4R,5S,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}propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2011-07-11
公開日2012-03-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 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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BU of 3swq by Molmil
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2023-09-13
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
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2023-12-06
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
3UPK
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BU of 3upk by Molmil
E. cloacae MURA in complex with UNAG
分子名称: 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2011-11-18
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 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
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2023-09-13
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
4Q65
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BU of 4q65 by Molmil
Structure of the E. coli Peptide Transporter YbgH
分子名称: Dipeptide permease D
著者Zhang, C, Zhao, Y, Mao, G, Liu, M, Wang, X.
登録日2014-04-21
公開日2014-08-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of the E. coli peptide transporter YbgH.
Structure, 22, 2014
1LN4
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BU of 1ln4 by Molmil
CRYSTAL STRUCTURE OF E. COLI YHBY
分子名称: Hypothetical protein yhbY
著者Ostheimer, G.J, Barkan, A, Matthews, B.W.
登録日2002-05-02
公開日2002-05-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of E. coli YhbY: a representative of a novel class of RNA binding proteins
Structure, 10, 2002
3A80
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BU of 3a80 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid (soaking 40seconds)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic 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2023-11-01
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
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
3BFI
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BU of 3bfi by Molmil
E. Coli Thymidylate Synthase Y209M mutant complexed with 5-nitro-dUMP
分子名称: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase
著者Roberts, S.A, Montfort, W.R.
登録日2007-11-21
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献E.Coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
To be Published
9ICD
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BU of 9icd by Molmil
CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES
分子名称: ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M.
登録日1991-07-29
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes.
Biochemistry, 30, 1991
7OE1
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BU of 7oe1 by Molmil
30S ribosomal subunit from E. coli
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
登録日2021-04-30
公開日2021-07-14
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
7NTK
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BU of 7ntk by Molmil
PALS1 PDZ1 domain with SARS-CoV-2_E PBM complex
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Envelope small membrane protein, ...
著者Javorsky, A, Kvansakul, M.
登録日2021-03-10
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
5J88
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BU of 5j88 by Molmil
Structure of the E coli 70S ribosome with the U1060A mutation in 16S rRNA
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
著者Cocozaki, A, Ferguson, A.
登録日2016-04-07
公開日2016-07-06
最終更新日2016-12-07
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
7NTJ
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BU of 7ntj by Molmil
PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex
分子名称: Envelope small membrane protein, MAGUK p55 subfamily member 5
著者Javorsky, A, Kvansakul, M.
登録日2021-03-10
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
5IWM
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BU of 5iwm by Molmil
2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA.
分子名称: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*TP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*AP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Bax, B.D, Miles, T.J.
登録日2016-03-22
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
7NWG
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BU of 7nwg by Molmil
Mammalian pre-termination 80S ribosome with Hybrid P/E- and A/P-site tRNA's bound by Blasticidin S.
分子名称: 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ...
著者Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
登録日2021-03-16
公開日2021-07-07
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
3K1G
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BU of 3k1g by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ser-L-Tyr
分子名称: Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2009-09-27
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
4UT6
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BU of 4ut6 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015

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件を2024-08-07に公開中

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