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7MLH
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BU of 7mlh by Molmil
Crystal structure of human IgE (2F10) in complex with Der p 2.0103
分子名称: CHLORIDE ION, Der p 2 variant 3, IgE Heavy chain, ...
著者Khatri, K, Kapingidza, A.B, Richardson, C.M, Vailes, L.D, Wunschmann, S, Dolamore, C, Chapman, M.D, Smith, S.A, Pomes, A, Chruszcz, M.
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 (2.1 Å)
主引用文献Human IgE monoclonal antibody recognition of mite allergen Der p 2 defines structural basis of an epitope for IgE cross-linking and anaphylaxis in vivo.
Pnas Nexus, 1, 2022
5L9K
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BU of 5l9k by Molmil
OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADPR
分子名称: GLYCEROL, MACROD-TYPE MACRODOMAIN, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
登録日2016-06-10
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
3MHS
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BU of 3mhs by Molmil
Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module bound to ubiquitin aldehyde
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ...
著者Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C.
登録日2010-04-08
公開日2010-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
5LCC
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BU of 5lcc by Molmil
Oceanobacillus iheyensis macrodomain mutant D40A
分子名称: MACROD-TYPE MACRODOMAIN
著者Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
登録日2016-06-20
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
4AWD
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BU of 4awd by Molmil
Crystal structure of the beta-porphyranase BpGH16B (BACPLE_01689) from the human gut bacterium Bacteroides plebeius
分子名称: BETA-PORPHYRANASE, CALCIUM ION, GLYCEROL
著者Hehemann, J.H, Kelly, A.G, Pudlo, N.A, Martens, E.C, Boraston, A.B.
登録日2012-06-01
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacteria of the human gut microbiome catabolize red seaweed glycans with carbohydrate-active enzyme updates from extrinsic microbes.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
4BFQ
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BU of 4bfq by Molmil
Assembly of a triple pi-stack of ligands in the binding site of Aplysia californica acetylcholine binding protein (AChBP)
分子名称: 4,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide, GLYCEROL, SOLUBLE ACETYLCHOLINE RECEPTOR
著者Stornaiuolo, M, De Kloe, G.E, Rucktooa, P, Fish, A, van Elk, R, Edink, E.S, Bertrand, D, Smit, A.B, de Esch, I.J.P, Sixma, T.K.
登録日2013-03-21
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Assembly of a Pi-Pi Stack of Ligands in the Binding Site of an Acetylcholine Binding Protein
Nat.Commun., 4, 2013
4AZC
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BU of 4azc by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
分子名称: (2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, ...
著者Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
登録日2012-06-25
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4AZ5
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BU of 4az5 by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
分子名称: (2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
登録日2012-06-22
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4B62
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BU of 4b62 by Molmil
The structure of the cell wall anchor of the T6SS from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, TSSL1
著者Robb, C.S, Carlson, M, Nano, F.E, Boraston, A.B.
登録日2012-08-08
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of the Periplasmic Peptidoglycan Binding Anchor of a T6Ss from Pseudomonas Aeruginosa.
To be Published
4UCT
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BU of 4uct by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCS
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BU of 4ucs by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCV
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BU of 4ucv by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCR
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BU of 4ucr by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UTF
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BU of 4utf by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose
分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
著者Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J.
登録日2014-07-21
公開日2014-12-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
7JFS
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BU of 7jfs by Molmil
The structure of the CBM32-1, CBM32-2, and M60 catalytic domains from Clostridium perfringens ZmpB
分子名称: F5/8 type C domain protein, ZINC ION
著者Pluvinage, B, Boraston, A.B.
登録日2020-07-17
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Architecturally complex O -glycopeptidases are customized for mucin recognition and hydrolysis.
Proc.Natl.Acad.Sci.USA, 118, 2021
4K1C
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BU of 4k1c by Molmil
VCX1 Calcium/Proton Exchanger
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, IODIDE ION, ...
著者Waight, A.B, Pedersen, B.P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
登録日2013-04-04
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for alternating access of a eukaryotic calcium/proton exchanger.
Nature, 499, 2013
4K2E
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BU of 4k2e by Molmil
HlyU from Vibrio cholerae N16961
分子名称: Transcriptional activator HlyU
著者Mukherjee, D, Datta, A.B, Chakrabarti, P.
登録日2013-04-09
公開日2014-04-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of HlyU, the hemolysin gene transcription activator, from Vibrio cholerae N16961 and functional implications.
Biochim.Biophys.Acta, 1844, 2014
4K89
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BU of 4k89 by Molmil
Crystal structure of Pseudomonas aeruginosa strain K solvent tolerant elastase
分子名称: CALCIUM ION, GLYCEROL, Organic solvent tolerant elastase, ...
著者Ali, M.S.M, Said, Z.S.A.M, Rahman, R.N.Z.R.A, Basri, M, Salleh, A.B.
登録日2013-04-18
公開日2014-05-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal structure analysia of solvent tolerant elastase strain K
To be Published
4ZMA
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BU of 4zma by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor
分子名称: CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ...
著者Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
登録日2015-05-02
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
4Z7M
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BU of 4z7m by Molmil
Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity
分子名称: MANGANESE (II) ION, Methionine aminopeptidase, N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide
著者Rose, J.A, Lahiri, S.D, McKinney, D.C, Albert, R, Morningstar, M, Shapiro, A.B, Fisher, S.F, Fleming, P.R.
登録日2015-04-07
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity
To be Published
5A55
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BU of 5a55 by Molmil
The native structure of GH101 from Streptococcus pneumoniae TIGR4
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A56
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The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015

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