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2ALV
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X-RAY STRUCTURAL ANALYSIS OF SARS CORONAVIRUS 3CL PROTEINASE IN COMPLEX WITH DESIGNED ANTI-VIRAL INHIBITORS
Descriptor:Replicase polyprotein 1ab, N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
Authors:Ghosh, A.K., Xi, K., Ratia, K., Santarsiero, B.D., Fu, W., Harcourt, B.H., Rota, P.A., Baker, S.C., Johnson, M.E., Mesecar, A.D.
Deposit date:2005-08-08
Release date:2006-08-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 2005
3V3M
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SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS (SARS-COV) 3CL PROTEASE IN COMPLEX WITH N-[(1R)-2-(TERT-BUTYLAMINO)-2-OXO-1-(PYRIDIN-3-YL)ETHYL]-N-(4-TERT-BUTYLPHENYL)FURAN-2-CARBOXAMIDE INHIBITOR.
Descriptor:3C-like proteinase, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide, DIMETHYL SULFOXIDE
Authors:Jacobs, J., Grum-Tokars, V., Zhou, Y., Turlington, M., Saldanha, S.A., Chase, P., Eggler, A., Dawson, E.S., Baez-Santos, Y.M., Tomar, S., Mielech, A.M., Baker, S.C., Lindsley, C.W., Hodder, P., Mesecar, A., Stauffer, S.R.
Deposit date:2011-12-13
Release date:2013-01-16
Last modified:2013-02-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease.
J.Med.Chem., 56, 2013
4YPT
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X-RAY STRUCTURAL OF THREE TANDEMLY LINKED DOMAINS OF NSP3 FROM MURINE HEPATITIS VIRUS AT 2.60 ANGSTROMS RESOLUTION
Descriptor:Replicase polyprotein 1ab, ZINC ION, GLYCEROL
Authors:Chen, Y., Savinov, S.N., Mielech, A.M., Cao, T., Baker, S.C., Mesecar, A.D.
Deposit date:2015-03-13
Release date:2015-08-26
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.6009 Å)
Cite:X-ray Structural and Functional Studies of the Three Tandemly Linked Domains of Non-structural Protein 3 (nsp3) from Murine Hepatitis Virus Reveal Conserved Functions.
J.Biol.Chem., 290, 2015
2FE8
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SARS CORONAVIRUS PAPAIN-LIKE PROTEASE: STRUCTURE OF A VIRAL DEUBIQUITINATING ENZYME
Descriptor:Replicase polyprotein 1ab, ZINC ION, BROMIDE ION, ...
Authors:Ratia, K., Santarsiero, B.D., Mesecar, A.D.
Deposit date:2005-12-15
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2QBZ
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STRUCTURE OF THE M-BOX RIBOSWITCH APTAMER DOMAIN
Descriptor:M-Box RNA, ykoK riboswitch aptamer, MAGNESIUM ION, ...
Authors:Dann III, C.E., Winkler, W.C.
Deposit date:2007-06-18
Release date:2007-09-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of a metal-sensing regulatory RNA
Cell(Cambridge,Mass.), 130, 2007
2QIQ
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STRUCTURE-BASED DESIGN AND SYNTHESIS AND BIOLOGICAL EVALUATION OF PEPTIDOMIMETIC SARS-3CLPRO INHIBITORS
Descriptor:Replicase polyprotein 1ab, ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Grum-Tokars, V.
Deposit date:2007-07-05
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3MJ5
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SEVERE ACUTE RESPIRATORY SYNDROME-CORONAVIRUS PAPAIN-LIKE PROTEASE INHIBITORS: DESIGN, SYNTHESIS, PROTEIN-LIGAND X-RAY STRUCTURE AND BIOLOGICAL EVALUATION
Descriptor:Replicase polyprotein 1a, N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ZINC ION
Authors:Mesecar, A.D., Ratia, K.M., Pegan, S.D.
Deposit date:2010-04-12
Release date:2010-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Severe acute respiratory syndrome coronavirus papain-like novel protease inhibitors: design, synthesis, protein-ligand X-ray structure and biological evaluation
J.Med.Chem., 53, 2010
4MM3
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CRYSTAL STRUCTURE OF SARS-COV PAPAIN-LIKE PROTEASE PLPRO IN COMPLEX WITH UBIQUITIN ALDEHYDE
Descriptor:Ubiquitin, Papain-like proteinase, ZINC ION
Authors:Mesecar, A.D., Ratia, K.
Deposit date:2013-09-08
Release date:2014-07-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:Structural Basis for the Ubiquitin-Linkage Specificity and deISGylating activity of SARS-CoV papain-like protease.
Plos Pathog., 10, 2014
4OVZ
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X-RAY STRUCTURAL AND BIOLOGICAL EVALUATION OF A SERIES OF POTENT AND HIGHLY SELECTIVE INHIBITORS OF HUMAN CORONAVIRUS PAPAIN-LIKE PROTEASES
Descriptor:Papain-like proteinase, ZINC ION, N-[(4-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:2017-11-22
Method:X-RAY DIFFRACTION (2.5 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
4OW0
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X-RAY STRUCTURAL AND BIOLOGICAL EVALUATION OF A SERIES OF POTENT AND HIGHLY SELECTIVE INHIBITORS OF HUMAN CORONAVIRUS PAPAIN-LIKE PROTEASES
Descriptor:papain-like protease, ZINC ION, 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:2017-11-22
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
5KO3
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STRUCTURE OF A CORE PAPAIN-LIKE PROTEASE OF MERS CORONAVIRUS WITH UTILITY FOR STRUCTURE-BASED DRUG DESIGN
Descriptor:ORF1a, ZINC ION, ACETATE ION
Authors:Clasman, J.C., Baez-Santos, Y.M., Mesecar, A.D.
Deposit date:2016-06-29
Release date:2017-01-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:X-ray Structure and Enzymatic Activity Profile of a Core Papain-like Protease of MERS Coronavirus with utility for structure-based drug design.
Sci Rep, 7, 2017
1E2R
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CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED AND CYANIDE BOUND
Descriptor:NITRITE REDUCTASE, HEME C, HEME D, ...
Authors:Fulop, V.
Deposit date:2000-05-24
Release date:2000-05-30
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:X-Ray Crystallographic Study of Cyanide Binding Provides Insights Into the Structure-Function Relationship for Cytochrome Cd1 Nitrite Reductase from Paracoccus Pantotrophus.
J.Biol.Chem., 275, 2000
1QKS
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CYTOCHROME CD1 NITRITE REDUCTASE, OXIDISED FORM
Descriptor:CYTOCHROME CD1 NITRITE REDUCTASE, HEME C, HEME D, ...
Authors:Fulop, V.
Deposit date:1999-08-05
Release date:1999-08-18
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The anatomy of a bifunctional enzyme: structural basis for reduction of oxygen to water and synthesis of nitric oxide by cytochrome cd1.
Cell, 81, 1995