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PDB: 182 件
8CA6
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Crystal structure of SARS-CoV-2 Mpro-Q189K mutant, free enzyme
分子名称: Non-structural protein 11
著者El Kilani, H, Hilgenfeld, R.
登録日2023-01-24
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-Q189K mutant, free enzyme
To Be Published
8CAJ
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BU of 8caj by Molmil
Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K
分子名称: Non-structural protein 11, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者El Kilani, H, Hilgenfeld, R.
登録日2023-01-24
公開日2024-08-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K
To Be Published
7ABU
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BU of 7abu by Molmil
Structure of SARS-CoV-2 Main Protease bound to RS102895
分子名称: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-09-08
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
1LK9
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The Three-dimensional Structure of Alliinase from Garlic
分子名称: 2-AMINO-ACRYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Kuettner, E.B, Hilgenfeld, R, Weiss, M.S.
登録日2002-04-24
公開日2002-12-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The active principle of garlic at atomic resolution
J.Biol.Chem., 277, 2002
1EXM
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BU of 1exm by Molmil
CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS ELONGATION FACTOR TU (EF-TU) IN COMPLEX WITH THE GTP ANALOGUE GPPNHP.
分子名称: ELONGATION FACTOR TU (EF-TU), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Hogg, T, Mesters, J.R, Hilgenfeld, R.
登録日2000-05-03
公開日2000-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into the GTPase Mechanism of EF-Tu from Structural Studies
The Ribosome: Structure, Function, Antibiotics, and Cellular Interactions, 28, 2000
4QL6
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Structure of C. trachomatis CT441
分子名称: Carboxy-terminal processing protease
著者Kohlmann, F, Hilgenfeld, R, Hansen, G.
登録日2014-06-10
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis of the proteolytic and chaperone activity of Chlamydia trachomatis CT441
J.Bacteriol., 197, 2015
2JBK
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membrane-bound glutamate carboxypeptidase II (GCPII) in complex with quisqualic acid (quisqualate, alpha-amino-3,5-dioxo-1,2,4- oxadiazolidine-2-propanoic acid)
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mesters, J.R, Henning, K, Hilgenfeld, R.
登録日2006-12-07
公開日2006-12-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa.
Acta Crystallogr.,Sect.D, 63, 2007
2JBJ
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membrane-bound glutamate carboxypeptidase II (GCPII) in complex with 2-PMPA (2-phosphonoMethyl-pentanedioic acid)
分子名称: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mesters, J.R, Henning, K, Hilgenfeld, R.
登録日2006-12-07
公開日2006-12-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa.
Acta Crystallogr.,Sect.D, 63, 2007
4K35
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The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, glycoside hydrolase family 81 endo-beta-1,3-glucanase
著者Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R.
登録日2013-04-10
公開日2013-10-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase
Acta Crystallogr.,Sect.D, 69, 2013
4K3A
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The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase
分子名称: SULFATE ION, glycoside hydrolase family 81 endo-beta-1,3-glucanase
著者Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R.
登録日2013-04-10
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase
Acta Crystallogr.,Sect.D, 69, 2013
5HIH
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BU of 5hih by Molmil
Crystal structure of the macro domain in Middle-East Respiratory Syndrome Coronavirus
分子名称: ORF1a
著者Lei, J, Hilgenfeld, R.
登録日2016-01-11
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural and mutational analysis of the interaction between the Middle-East respiratory syndrome coronavirus (MERS-CoV) papain-like protease and human ubiquitin.
Virol Sin, 31, 2016
2XCU
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BU of 2xcu by Molmil
Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, complex with CMP
分子名称: 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R.
登録日2010-04-26
公開日2011-05-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
5HOL
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BU of 5hol by Molmil
The crystal structure of the MERS-CoV macro domain with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ORF1a
著者Lei, J, Hilgenfeld, R.
登録日2016-01-19
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Nsp3 of coronaviruses: Structures and functions of a large multi-domain protein.
Antiviral Res., 149, 2018
2XCI
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BU of 2xci by Molmil
Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, substrate-free form
分子名称: 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R.
登録日2010-04-26
公開日2011-05-11
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
著者Zhang, L, Ma, Q, Hilgenfeld, R.
登録日2017-02-05
公開日2018-02-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5NGN
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BU of 5ngn by Molmil
Lybatide 2, a cystine-rich peptide from Lycium barbarum
分子名称: ACETONITRILE, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Lei, J, Tan, W.L, Sakai, N, Hilgenfeld, R.
登録日2017-03-18
公開日2017-07-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold.
Sci Rep, 7, 2017
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
著者Ma, Q, Zhang, L, Hilgenfeld, R.
登録日2017-03-15
公開日2018-05-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
3I92
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Structure of the cytosolic domain of E. coli FeoB, GppCH2p-bound form
分子名称: Ferrous iron transport protein B, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Petermann, N, Hansen, G, Hogg, T, Hilgenfeld, R.
登録日2009-07-10
公開日2009-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the intrinsic GTPase and GDI activities of FeoB, a prokaryotic transmembrane GTP/GDP-binding protein
To be Published
3I8X
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BU of 3i8x by Molmil
Structure of the cytosolic domain of E. coli FeoB, GDP-bound form
分子名称: Ferrous iron transport protein B, GUANOSINE-5'-DIPHOSPHATE
著者Petermann, N, Hansen, G, Hogg, T, Hilgenfeld, R.
登録日2009-07-10
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the intrinsic GTPase and GDI activities of FeoB, a prokaryotic transmembrane GTP/GDP-binding protein
To be Published
3IBY
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BU of 3iby by Molmil
Structure of cytosolic domain of L. pneumophila FeoB
分子名称: Ferrous iron transport protein B
著者Petermann, N, Hansen, G, Hilgenfeld, R.
登録日2009-07-17
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the GTPase and GDI domains of FeoB, the ferrous iron transporter of Legionella pneumophila.
Febs Lett., 584, 2010
3I8S
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BU of 3i8s by Molmil
Structure of the cytosolic domain of E. coli FeoB, nucleotide-free form
分子名称: Ferrous iron transport protein B
著者Petermann, N, Hansen, G, Hogg, T, Hilgenfeld, R.
登録日2009-07-10
公開日2009-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the intrinsic GTPase and GDI activities of FeoB, a prokaryotic transmembrane GTP/GDP-binding protein
To be Published
5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhang, L, Hilgenfeld, R.
登録日2017-03-21
公開日2018-05-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
1F13
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RECOMBINANT HUMAN CELLULAR COAGULATION FACTOR XIII
分子名称: CELLULAR COAGULATION FACTOR XIII ZYMOGEN
著者Weiss, M.S, Hilgenfeld, R.
登録日1998-01-16
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two non-proline cis peptide bonds may be important for factor XIII function.
FEBS Lett., 423, 1998
5N5O
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Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
著者Zhang, L, Hilgenfeld, R.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
1IZH
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Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
分子名称: proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J.
登録日2002-10-02
公開日2002-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002

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