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2Y6P
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BU of 2y6p by Molmil
Evidence for a Two-Metal-Ion-Mechanism in the Kdo- Cytidylyltransferase KdsB
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, BETA-MERCAPTOETHANOL, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Schmidt, H, Mesters, J.R, Mamat, U, Hilgenfeld, R.
Deposit date:2011-01-25
Release date:2011-08-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence for a Two-Metal-Ion Mechanism in the Cytidyltransferase Kdsb, an Enzyme Involved in Lipopolysaccharide Biosynthesis.
Plos One, 6, 2011
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)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
2WCT
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BU of 2wct by Molmil
human SARS coronavirus unique domain (triclinic form)
Descriptor: NON-STRUCTURAL PROTEIN 3
Authors:Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R.
Deposit date:2009-03-16
Release date:2009-05-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
3UB0
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BU of 3ub0 by Molmil
Crystal structure of the nonstructural protein 7 and 8 complex of Feline Coronavirus
Descriptor: Non-structural protein 6, nsp6,, Non-structural protein 7, ...
Authors:Xiao, Y, Hilgenfeld, R, Ma, Q.
Deposit date:2011-10-22
Release date:2012-02-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012
1P9S
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BU of 1p9s by Molmil
Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Descriptor: 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab
Authors:Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
Deposit date:2003-05-12
Release date:2003-05-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
1P9U
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BU of 1p9u by Molmil
Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, PHQ-VNSTLQ-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION, ...
Authors:Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
Deposit date:2003-05-12
Release date:2003-05-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
3EJF
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BU of 3ejf by Molmil
Crystal structure of IBV X-domain at pH 8.5
Descriptor: Non-structural protein 3
Authors:Piotrowski, Y, Hansen, G, Hilgenfeld, R.
Deposit date:2008-09-18
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
1DPW
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BU of 1dpw by Molmil
STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH MPD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Weiss, M.S, Palm, G.J, Hilgenfeld, R.
Deposit date:1999-12-28
Release date:2000-01-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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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BU of 1dpx by Molmil
STRUCTURE OF HEN EGG-WHITE LYSOZYME
Descriptor: CHLORIDE ION, LYSOZYME
Authors:Weiss, M.S, Palm, G.J, Hilgenfeld, R.
Deposit date:1999-12-28
Release date:2000-01-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
3PV2
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BU of 3pv2 by Molmil
Structure of Legionella fallonii DegQ (wt)
Descriptor: DegQ
Authors:Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
Deposit date:2010-12-06
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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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BU of 3pv4 by Molmil
Structure of Legionella fallonii DegQ (Delta-PDZ2 variant)
Descriptor: CADMIUM ION, DegQ
Authors:Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
Deposit date:2010-12-06
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PV5
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BU of 3pv5 by Molmil
Structure of Legionella fallonii DegQ (N189G/P190G variant)
Descriptor: DegQ
Authors:Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
Deposit date:2010-12-06
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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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BU of 3pv3 by Molmil
Structure of Legionella fallonii DegQ (S193A variant)
Descriptor: DegQ, Substrate peptide (Poly-Ala)
Authors:Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
Deposit date:2010-12-06
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
3P31
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BU of 3p31 by Molmil
Crystal structure of the NS1 effector domain from influenza A/Vietnam/1203/2004 (H5N1) virus
Descriptor: Nonstructural protein 1, THIOCYANATE ION
Authors:Chen, S, Xiao, Y.B, Ponnusamy, R, Hilgenfeld, R.
Deposit date:2010-10-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
3O5Z
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BU of 3o5z by Molmil
Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R.
Deposit date:2010-07-28
Release date:2011-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit
Acta Crystallogr.,Sect.F, 67, 2011
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
Descriptor: PROTEIN (MACROPHAGE INFECTIVITY POTENTIATOR PROTEIN), ZINC ION
Authors:Riboldi-Tunnicliffe, A, Jessen, S, Konig, B, Rahfeld, J, Hacker, J, Fischer, G, Hilgenfeld, R.
Deposit date:2000-07-20
Release date:2001-07-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal structure of Mip, a prolylisomerase from Legionella pneumophila
Nat.Struct.Biol., 8, 2001
2C0Y
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BU of 2c0y by Molmil
THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S
Descriptor: PROCATHEPSIN S
Authors:Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B.
Deposit date:2005-09-08
Release date:2006-11-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions.
Protein Sci., 15, 2006
1DG1
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BU of 1dg1 by Molmil
WHOLE, UNMODIFIED, EF-TU(ELONGATION FACTOR TU).
Descriptor: ELONGATION FACTOR TU, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Abel, K, Yoder, M, Hilgenfeld, R, Jurnak, F.
Deposit date:1999-11-22
Release date:1999-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alpha to beta conformational switch in EF-Tu.
Structure, 4, 1996
3TNT
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BU of 3tnt by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG85
Descriptor: N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide, SARS coronavirus main protease
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-09-02
Release date:2012-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
3SNA
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BU of 3sna by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSFSQ-H (soaking)
Descriptor: 3C-like proteinase, Peptide aldehyde inhibitor Ac-NSFSQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SZN
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BU of 3szn by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester SG75
Descriptor: 3C-like proteinase, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-07-19
Release date:2012-07-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of unsaturated esters
To be Published
3TIU
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BU of 3tiu by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82
Descriptor: DIMETHYL SULFOXIDE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE, SARS coronavirus main protease
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-08-22
Release date:2012-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
3TIT
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BU of 3tit by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester SG81
Descriptor: ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, SARS coronavirus main protease
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-08-21
Release date:2012-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of unsaturated esters
To be Published
3TNS
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BU of 3tns by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG83
Descriptor: ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE, SARS coronavirus main protease
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-09-01
Release date:2012-09-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
1UJ1
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BU of 1uj1 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro)
Descriptor: 3C-like proteinase
Authors:Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
Deposit date:2003-07-25
Release date:2003-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003

238582

数据于2025-07-09公开中

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