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PDB: 188 results

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)
Descriptor: (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
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
3R24
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BU of 3r24 by Molmil
Crystal structure of nsp10/nsp16 complex of SARS coronavirus
Descriptor: 2'-O-methyl transferase, Non-structural protein 10 and Non-structural protein 11, S-ADENOSYLMETHIONINE, ...
Authors:Liu, X, Guo, D, Su, C, Chen, Y.
Deposit date:2011-03-13
Release date:2011-10-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and structural insights into the mechanisms of SARS coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex.
Plos Pathog., 7, 2011
2GTB
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Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212
Descriptor: (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like proteinase, ACETIC ACID
Authors:Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C.
Deposit date:2006-04-27
Release date:2006-12-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase.
J.Mol.Biol., 366, 2007
2GT8
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Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) in the space group P43212
Descriptor: 3C-like proteinase
Authors:Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G.
Deposit date:2006-04-27
Release date:2006-12-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase.
J.Mol.Biol., 366, 2007
7VLO
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BU of 7vlo by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.0227 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7YGQ
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BU of 7ygq by Molmil
Crystal structure of SARS main protease in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-07-12
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
2XYV
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BU of 2xyv by Molmil
Crystal structure of the nsp16 nsp10 SARS coronavirus complex
Descriptor: CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ...
Authors:Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B.
Deposit date:2010-11-19
Release date:2011-10-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
3TIU
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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
2A5A
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Crystal structure of unbound SARS coronavirus main peptidase in the space group C2
Descriptor: 1,2-ETHANEDIOL, 3C-like peptidase, CHLORIDE ION
Authors:Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
Deposit date:2005-06-30
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
4HI3
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BU of 4hi3 by Molmil
Crystal structure of dimeric R298A mutant of SARS coronavirus main protease
Descriptor: 3C-like proteinase
Authors:Wu, C.-G, Chou, C.-Y.
Deposit date:2012-10-11
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Mechanism for controlling the monomer-dimer conversion of SARS coronavirus main protease.
Acta Crystallogr.,Sect.D, 69, 2013
2Z3D
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BU of 2z3d by Molmil
A Mechanistic view of Enzyme Inhibition and Peptide Hydrolysis in the Active Site of the SARS-CoV 3C-Like peptidase
Descriptor: GLYCEROL, Inhibitor, Replicase polyprotein 1ab (pp1ab)
Authors:Yin, J.
Deposit date:2007-06-04
Release date:2007-07-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the SARS-CoV 3C-like peptidase
J.Mol.Biol., 371, 2007
2Z9L
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BU of 2z9l by Molmil
complex structure of SARS-CoV 3C-like protease with JMF1586
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, diaminozinc
Authors:Lee, C.C, Wang, A.H.
Deposit date:2007-09-20
Release date:2007-12-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.
Febs Lett., 581, 2007
4OW0
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BU of 4ow0 by Molmil
X-Ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ...
Authors:Baez-Santos, Y.M, Mesecar, A.
Deposit date:2014-01-28
Release date:2014-04-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases.
J.Med.Chem., 57, 2014
2G9T
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BU of 2g9t by Molmil
Crystal structure of the SARS coronavirus nsp10 at 2.1A
Descriptor: ZINC ION, orf1a polyprotein
Authors:Su, D, Lou, Z, Yang, H, Sun, F, Rao, Z.
Deposit date:2006-03-07
Release date:2006-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
7LCQ
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BU of 7lcq by Molmil
N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
Deposit date:2021-01-11
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:N-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 M pro Dimer.
J.Mol.Biol., 433, 2021
5F22
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C-terminal domain of SARS-CoV nsp8 complex with nsp7
Descriptor: Non-structural protein, Non-structural protein 7
Authors:Li, S.
Deposit date:2015-12-01
Release date:2016-01-27
Last modified:2016-02-03
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:C-terminal domain of SARS-CoV nsp8 complex with nsp7
To Be Published
8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
2GZ9
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Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease
Descriptor: Replicase polyprotein 1ab
Authors:Lu, I.L, Wu, S.Y.
Deposit date:2006-05-11
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of Severe Acute Respiratory Syndrome Coronavirus Main Protease
J.Med.Chem., 49, 2006
3VB3
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BU of 3vb3 by Molmil
Crystal structure of SARS-CoV 3C-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, DI(HYDROXYETHYL)ETHER
Authors:Chuck, C.P, Wong, K.B.
Deposit date:2011-12-31
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
3VB4
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Crystal structure of SARS-CoV 3C-like protease with B4Z
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, B4Z inhibitor, ...
Authors:Chuck, C.P, Wong, K.B.
Deposit date:2011-12-31
Release date:2012-12-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
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
5B6O
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BU of 5b6o by Molmil
Crystal structure of MS8104
Descriptor: 3C-like proteinase
Authors:Wang, H, Kim, Y, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2016-05-31
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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
7LFV
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BU of 7lfv by Molmil
Crystal structure of the SARS CoV-1 Papain-like protease in complex with peptide inhibitor VIR251
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ...
Authors:Olsen, S.K, Lv, Z.
Deposit date:2021-01-18
Release date:2021-11-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:A molecular sensor determines the ubiquitin substrate specificity of SARS-CoV-2 papain-like protease.
Cell Rep, 36, 2021
6LNQ
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The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7
Descriptor: N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease
Authors:Wang, H, Shang, L.Q.
Deposit date:2020-01-01
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020

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