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PDB: 178 件
2V6N
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BU of 2v6n by Molmil
Crystal structures of the SARS-coronavirus main proteinase inactivated by benzotriazole compounds
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(DIMETHYLAMINO)BENZOIC ACID, REPLICASE POLYPROTEIN 1AB, ...
著者Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R.
登録日2007-07-19
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters.
Chem.Biol., 15, 2008
2WCT
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human SARS coronavirus unique domain (triclinic form)
分子名称: NON-STRUCTURAL PROTEIN 3
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R.
登録日2009-03-16
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
3EJF
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BU of 3ejf by Molmil
Crystal structure of IBV X-domain at pH 8.5
分子名称: Non-structural protein 3
著者Piotrowski, Y, Hansen, G, Hilgenfeld, R.
登録日2008-09-18
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
分子名称: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
著者Guenther, S, Reinke, P, 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, Dunkel, I, Lane, T.J, 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2020-12-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
1DPW
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STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH MPD
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Weiss, M.S, Palm, G.J, Hilgenfeld, R.
登録日1999-12-28
公開日2000-01-03
最終更新日2011-11-23
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystallization, structure solution and refinement of hen egg-white lysozyme at pH 8.0 in the presence of MPD.
Acta Crystallogr.,Sect.D, 56, 2000
1DPX
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STRUCTURE OF HEN EGG-WHITE LYSOZYME
分子名称: CHLORIDE ION, LYSOZYME
著者Weiss, M.S, Palm, G.J, Hilgenfeld, R.
登録日1999-12-28
公開日2000-01-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystallization, structure solution and refinement of hen egg-white lysozyme at pH 8.0 in the presence of MPD.
Acta Crystallogr.,Sect.D, 56, 2000
1FD9
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BU of 1fd9 by Molmil
CRYSTAL STRUCTURE OF THE MACROPHAGE INFECTIVITY POTENTIATOR PROTEIN (MIP) A MAJOR VIRULENCE FACTOR FROM LEGIONELLA PNEUMOPHILA
分子名称: PROTEIN (MACROPHAGE INFECTIVITY POTENTIATOR PROTEIN), ZINC ION
著者Riboldi-Tunnicliffe, A, Jessen, S, Konig, B, Rahfeld, J, Hacker, J, Fischer, G, Hilgenfeld, R.
登録日2000-07-20
公開日2001-07-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal structure of Mip, a prolylisomerase from Legionella pneumophila
Nat.Struct.Biol., 8, 2001
1DG1
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WHOLE, UNMODIFIED, EF-TU(ELONGATION FACTOR TU).
分子名称: ELONGATION FACTOR TU, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Abel, K, Yoder, M, Hilgenfeld, R, Jurnak, F.
登録日1999-11-22
公開日1999-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alpha to beta conformational switch in EF-Tu.
Structure, 4, 1996
2BX3
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BU of 2bx3 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
分子名称: 3C-like proteinase nsp5
著者Verschueren, K.H.G, Mesters, J.R, Hilgenfeld, R.
登録日2005-07-22
公開日2005-09-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2BX4
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Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
分子名称: 3C-like proteinase nsp5
著者Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
登録日2005-07-22
公開日2005-09-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2C6C
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BU of 2c6c by Molmil
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid
分子名称: (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}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, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-09
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
2C6G
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BU of 2c6g by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) with bound glutamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-09
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer.
EMBO J., 25, 2006
2C6P
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BU of 2c6p by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-11
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
3PV5
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Structure of Legionella fallonii DegQ (N189G/P190G variant)
分子名称: DegQ
著者Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
登録日2010-12-06
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PV3
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Structure of Legionella fallonii DegQ (S193A variant)
分子名称: DegQ, Substrate peptide (Poly-Ala)
著者Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
登録日2010-12-06
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PV2
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BU of 3pv2 by Molmil
Structure of Legionella fallonii DegQ (wt)
分子名称: DegQ
著者Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
登録日2010-12-06
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PV4
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Structure of Legionella fallonii DegQ (Delta-PDZ2 variant)
分子名称: CADMIUM ION, DegQ
著者Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
登録日2010-12-06
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
3UB0
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BU of 3ub0 by Molmil
Crystal structure of the nonstructural protein 7 and 8 complex of Feline Coronavirus
分子名称: Non-structural protein 6, nsp6,, Non-structural protein 7, ...
著者Xiao, Y, Hilgenfeld, R, Ma, Q.
登録日2011-10-22
公開日2012-02-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012
3RK6
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Crystal structure of the middle domain of human Paip1
分子名称: Polyadenylate-binding protein-interacting protein 1
著者Lei, J, Mesters, J.R, Hilgenfeld, R.
登録日2011-04-17
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the middle domain of human poly(A)-binding protein-interacting protein 1.
Biochem.Biophys.Res.Commun., 408, 2011
3SNE
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Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (Soaking)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SND
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BU of 3snd by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (cocrystallization)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3PNR
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BU of 3pnr by Molmil
Structure of PbICP-C in complex with falcipain-2
分子名称: CADMIUM ION, Falcipain 2, GLYCEROL, ...
著者Hansen, G, Hilgenfeld, R.
登録日2010-11-19
公開日2011-07-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium.
Structure, 19, 2011
3SNC
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Crystal structure of SARS coronavirus main protease complexed with Ac-NSTSQ-H (soaking)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, Peptide aldehyde inhibitor Ac-NSTSQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNB
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Crystal structure of SARS coronavirus main protease complexed with Ac-DSFDQ-H (soaking)
分子名称: 3C-like proteinase, Peptide aldehyde inhibitor Ac-DSFDQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3ZVG
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98
分子名称: 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013

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