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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:2024-11-13
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
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
Descriptor: (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, ...
Authors:Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
Deposit date:2005-11-09
Release date:2006-02-15
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors:Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
Deposit date:2005-11-09
Release date:2006-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer.
EMBO J., 25, 2006
2BX3
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BU of 2bx3 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite: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
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
2C6P
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BU of 2c6p by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion
Descriptor: 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, ...
Authors:Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
Deposit date:2005-11-11
Release date:2006-02-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
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:2024-11-27
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
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
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
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
3ZVD
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BU of 3zvd by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83
Descriptor: 3C PROTEASE, 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
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVA
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BU of 3zva by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75
Descriptor: 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZYE
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BU of 3zye by Molmil
Crystal structure of 3C protease mutant (T68A) of coxsackievirus B3
Descriptor: 3C PROTEINASE
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-22
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZ5
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BU of 3zz5 by Molmil
Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 74
Descriptor: 3C PROTEINASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZ3
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BU of 3zz3 by Molmil
Crystal structure of 3C protease mutant (N126Y) of coxsackievirus B3
Descriptor: 3C PROTEINASE
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZB
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BU of 3zzb by Molmil
Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85
Descriptor: 3C 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
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZC
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BU of 3zzc by Molmil
Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 83
Descriptor: 3C PROTEINASE, 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
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZA
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BU of 3zza by Molmil
Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 84
Descriptor: 3C PROTEINASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZ9
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BU of 3zz9 by Molmil
Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 83
Descriptor: 3C PROTEINASE, 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
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZD
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BU of 3zzd by Molmil
Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85
Descriptor: 3C 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
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
3ZZ8
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BU of 3zz8 by Molmil
Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 82
Descriptor: 3C PROTEINASE, 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
Authors:Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-08-31
Release date:2012-09-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published

238582

数据于2025-07-09公开中

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