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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
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
1UK2
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BU of 1uk2 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0
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:2003-08-14
Release date:2003-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 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
1UK3
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BU of 1uk3 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH7.6
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:2003-08-14
Release date:2003-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 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
1UK4
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BU of 1uk4 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) Complexed With An Inhibitor
Descriptor: 3C-like proteinase nsp5, 5-mer peptide of inhibitor
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:2003-08-14
Release date:2003-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 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
1VJ7
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BU of 1vj7 by Molmil
Crystal structure of the bifunctional catalytic fragment of RelSeq, the RelA/SpoT homolog from Streptococcus equisimilis.
Descriptor: Bifunctional RELA/SPOT, GUANOSINE 5'-DIPHOSPHATE 2':3'-CYCLIC MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Hogg, T, Mechold, U, Malke, H, Cashel, M, Hilgenfeld, R.
Deposit date:2004-02-03
Release date:2004-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational antagonism between opposing active sites in a bifunctional RelA/SpoT homolog modulates (p)ppGpp metabolism during the stringent response.
Cell(Cambridge,Mass.), 117, 2004
2W2G
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BU of 2w2g by Molmil
Human SARS coronavirus unique domain
Descriptor: NON-STRUCTURAL PROTEIN 3, SULFATE ION
Authors:Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Kusov, Y, Hansen, G, Mesters, J.R, Schmidt, C.L, Hilgenfeld, R.
Deposit date:2008-10-30
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
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:2023-12-13
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
3P38
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BU of 3p38 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
Descriptor: Nonstructural protein 1
Authors:Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
Deposit date:2010-10-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
2V6N
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BU of 2v6n by Molmil
Crystal structures of the SARS-coronavirus main proteinase inactivated by benzotriazole compounds
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(DIMETHYLAMINO)BENZOIC ACID, REPLICASE POLYPROTEIN 1AB, ...
Authors:Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R.
Deposit date:2007-07-19
Release date:2008-07-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters.
Chem.Biol., 15, 2008
2VJ1
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BU of 2vj1 by Molmil
A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters
Descriptor: 4-(DIMETHYLAMINO)BENZOIC ACID, BENZOIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R.
Deposit date:2007-12-06
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters.
Chem.Biol., 15, 2008
2YOL
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BU of 2yol by Molmil
West Nile Virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-Lys-Lys-GCMA
Descriptor: (S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Hammamy, M.Z, Haase, C, Hammami, M, Hilgenfeld, R, Steinmetzer, T.
Deposit date:2012-10-25
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus Ns2B-Ns3 Protease.
Chemmedchem, 8, 2013
2YNB
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BU of 2ynb by Molmil
Crystal structure of the main protease of coronavirus HKU4 in complex with a Michael acceptor SG85
Descriptor: 3C-LIKE PROTEINASE, 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, NICKEL (II) ION
Authors:Ma, Q, Xiao, Y, Hilgenfeld, R.
Deposit date:2012-10-13
Release date:2013-10-23
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
3P39
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BU of 3p39 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
Descriptor: Nonstructural protein 1
Authors:Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
Deposit date:2010-10-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
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
3PNR
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BU of 3pnr by Molmil
Structure of PbICP-C in complex with falcipain-2
Descriptor: CADMIUM ION, Falcipain 2, GLYCEROL, ...
Authors:Hansen, G, Hilgenfeld, R.
Deposit date:2010-11-19
Release date:2011-07-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium.
Structure, 19, 2011
6YXJ
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BU of 6yxj by Molmil
Crystal structure of SARS-CoV macrodomain II in complex with human Paip1
Descriptor: Non-structural protein 3, Polyadenylate-binding protein-interacting protein 1
Authors:Lei, J, Hilgenfeld, R.
Deposit date:2020-05-02
Release date:2021-03-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The SARS-unique domain (SUD) of SARS-CoV and SARS-CoV-2 interacts with human Paip1 to enhance viral RNA translation.
Embo J., 40, 2021
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:2017-11-08
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
3RK6
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BU of 3rk6 by Molmil
Crystal structure of the middle domain of human Paip1
Descriptor: Polyadenylate-binding protein-interacting protein 1
Authors:Lei, J, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-04-17
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the middle domain of human poly(A)-binding protein-interacting protein 1.
Biochem.Biophys.Res.Commun., 408, 2011
3SNC
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BU of 3snc by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSTSQ-H (soaking)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, Peptide aldehyde inhibitor Ac-NSTSQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
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:2012-12-12
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
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:2017-11-08
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
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:2017-11-08
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
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
3SNB
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BU of 3snb by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-DSFDQ-H (soaking)
Descriptor: 3C-like proteinase, Peptide aldehyde inhibitor Ac-DSFDQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011

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