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2MFH
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Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(36-44)/RsmE(dimer) 2:1 complex
分子名称: Carbon storage regulator homolog, RsmZ(36-44) RNA
著者Duss, O, Diarra Dit Konte, N, Michel, E, Schubert, M, Allain, F.H.-T.
登録日2013-10-11
公開日2014-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.
Nucleic Acids Res., 42, 2014
2MFE
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BU of 2mfe by Molmil
Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL2)/RsmE(dimer) 2:1 complex
分子名称: Carbon storage regulator homolog, SL2(RsmZ) RNA
著者Duss, O, Diarra Dit Konte, N, Michel, E, Schubert, M, Allain, F.H.-T.
登録日2013-10-11
公開日2014-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.
Nucleic Acids Res., 42, 2014
2N7A
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BU of 2n7a by Molmil
Solution structure of the human Siglec-8 lectin domain
分子名称: Sialic acid-binding Ig-like lectin 8
著者Proepster, J.M, Yang, F, Rabbani, S, Ernst, B, Allain, F.H.-T, Schubert, M.
登録日2015-09-07
公開日2016-07-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8.
Proc.Natl.Acad.Sci.USA, 113, 2016
2MFC
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BU of 2mfc by Molmil
Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL1)/RsmE(dimer) 2:1 complex
分子名称: Carbon storage regulator homolog, SL1(RsmZ) RNA
著者Duss, O, Diarra Dit Konte, N, Michel, E, Schubert, M, Allain, F.H.-T.
登録日2013-10-10
公開日2014-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.
Nucleic Acids Res., 42, 2014
2MFG
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BU of 2mfg by Molmil
Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL4)/RsmE(dimer) 2:1 complex
分子名称: Carbon storage regulator homolog, SL4(RsmZ) RNA
著者Duss, O, Diarra Dit Konte, N, Michel, E, Schubert, M, Allain, F.H.-T.
登録日2013-10-11
公開日2014-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.
Nucleic Acids Res., 42, 2014
1H4H
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BU of 1h4h by Molmil
Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre
分子名称: XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose
著者Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J.
登録日2001-05-11
公開日2002-05-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase.
Chem.Biol., 6, 1999
1H4G
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BU of 1h4g by Molmil
Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre
分子名称: SULFATE ION, XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose
著者Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J.
登録日2001-05-11
公開日2002-05-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase.
Chem.Biol., 6, 1999
1HD5
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Endoglucanase from Humicola insolens AT 1.7A resolution
分子名称: ENDOGLUCANASE
著者McAuley, K.E, Wilson, K.S, Schulein, M.
登録日2000-11-08
公開日2000-12-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Endoglucanase from Humicola Insolens at 1.7A Resolution
To be Published
1H5V
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Thiopentasaccharide complex of the endoglucanase Cel5A from Bacillus agaradharens at 1.1 A resolution in the tetragonal crystal form
分子名称: CALCIUM ION, ENDOGLUCANASE 5A, SODIUM ION, ...
著者Varrot, A, Sulzenbacher, G, Schulein, M, Driguez, H, Davies, G.J.
登録日2001-05-28
公開日2002-05-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic Resolution Structure of Endoglucanase Cel5A in Complex with Methyl 4,4II,4III,4Iv-Tetrathio-Alpha-Cellopentoside Highlights the Alternative Binding Modes Targeted by Substrate Mimics
Acta Crystallogr.,Sect.D, 57, 2001
1I9B
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BU of 1i9b by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYLCHOLINE BINDING PROTEIN, CALCIUM ION
著者Brejc, K, van Dijk, W.J, Klaassen, R, Schuurmans, M, van der Oost, J, Smit, A.B, Sixma, T.K.
登録日2001-03-18
公開日2001-05-16
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors.
Nature, 411, 2001
5S73
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BU of 5s73 by Molmil
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
分子名称: Non-structural protein 3
著者Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
登録日2020-11-23
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
To Be Published
5S74
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BU of 5s74 by Molmil
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3
著者Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
登録日2020-11-23
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
To Be Published
7X0F
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BU of 7x0f by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant
分子名称: 4'-PHOSPHOPANTETHEINE, AMB antimetabolite synthase AmbB
著者ChuYuanKee, M, Bharath, S.R, Song, H.
登録日2022-02-22
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
7X0E
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BU of 7x0e by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC in apo form
分子名称: AMB antimetabolite synthase AmbB, N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide
著者ChuYuanKee, M, Bharath, S.R, Song, H.
登録日2022-02-22
公開日2022-07-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
7X17
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BU of 7x17 by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant-L-Ala
分子名称: AMB antimetabolite synthase AmbB, S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate
著者ChuYuanKee, M, Bharath, S.R, Song, H.
登録日2022-02-23
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
5RSO
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BU of 5rso by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226
分子名称: Non-structural protein 3, PARA ACETAMIDO BENZOIC ACID
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RT7
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BU of 5rt7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276
分子名称: 1H-PYRROLO[2,3-B]PYRIDINE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RTO
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BU of 5rto by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302
分子名称: 4-PIPERIDINO-PIPERIDINE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RU6
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BU of 5ru6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764
分子名称: Non-structural protein 3, naphthalene-2-carboximidamide
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RUO
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100
分子名称: 4-chloro-1H-indole-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RS9
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250
分子名称: 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSP
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RV2
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783
分子名称: N-benzylpyrazine-2-carboxamide, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVK
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810
分子名称: 7-bromo-5-methyl-1H-indole-2,3-dione, Non-structural protein 3
著者Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-10-02
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVV
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197
分子名称: 6-methyl-1H-indole-3-carboxylic acid, Non-structural protein 3
著者Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-10-02
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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