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6XMK
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1.70 A RESOLUTION STRUCTURE OF SARS-COV-2 3CL PROTEASE IN COMPLEX WITH INHIBITOR 7J
Descriptor:3C-like proteinase, (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, TETRAETHYLENE GLYCOL
Authors:Lovell, S., Kashipathy, M.M., Battaile, K.P., Rathnayake, A.D., Zheng, J., Kim, Y., Nguyen, H.N., Chang, K.O., Groutas, W.C.
Deposit date:2020-06-30
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Efficacy of post-infection treatment of 3CL Protease in the mouse model of MERS-coronavirus infection
To be published
6ZL7
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CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY
Descriptor:PMGL2, MAGNESIUM ION, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
Authors:Goryaynova, D.A., Boyko, K.M., Nikolaeva, A.Y., Korzhenevskiy, D.A., Kryukova, M.V., Petrovskaya, L.E., Novototskaya-Vlasova, K.A., Rivkina, E.M., Dolgikh, D.A., Kirpichnikov, M.P., Popov, V.O.
Deposit date:2020-06-30
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY
To Be Published
6XKF
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THE CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED CYS145 (SULFENIC ACID CYSTEINE).
Descriptor:3C-like proteinase, 1,2-ETHANEDIOL, CHLORIDE ION
Authors:Tan, K., Maltseva, N.I., Welk, L.F., Jedrzejczak, R.P., Coates, L., Kovalevskyi, A.Y., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-26
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
To Be Published
6XKH
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THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (SULFINIC ACID CYSTEINE)
Descriptor:3C-like proteinase, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Tan, K., Maltseva, N.I., Welk, L.F., Jedrzejczak, R.P., Coates, L., Kovalevsky, A., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-26
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
To Be Published
6XKM
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ROOM TEMPERATURE STRUCTURE OF SARS-COV-2 NSP10/NSP16 METHYLTRANSFERASE IN A COMPLEX WITH SAM DETERMINED BY FIXED-TARGET SERIAL CRYSTALLOGRAPHY
Descriptor:2'-O-methyltransferase, Non-structural protein 10, CHLORIDE ION, ...
Authors:Wilamowski, M., Sherrell, D.A., Minasov, G., Kim, Y., Shuvalova, L., Lavens, A., Chard, R., Rosas-Lemus, M., Maltseva, N., Jedrzejczak, R., Michalska, K., Satchell, K.J.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-26
Release date:2020-07-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography
To Be Published
6XJF
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X-RAY CRYSTAL STRUCTURE OF PYROCOCCUS FURIOSUS GENERAL TRANSCRIPTION FACTOR TFE-ALPHA (SEMET LABELED PROTEIN)
Descriptor:Transcription factor E
Authors:Murakami, K.S., Jun, S.H.
Deposit date:2020-06-23
Release date:2020-07-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of archaeal transcription activation by general transcription factor TFE-alpha
To Be Published
6ZHK
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CRYSTAL STRUCTURE OF ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE FROM METHANOCALDOCOCCUS JANNASCHII DSM 2661
Descriptor:Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, MAGNESIUM ION
Authors:Boyko, K.M., Nikolaeva, T.N., Stekhanova, T.N., Rakitina, T.V., Bezsudnova, E.Y., Popov, V.O.
Deposit date:2020-06-23
Release date:2020-07-01
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of transaminase from (BALSA)
To Be Published
6XJ3
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CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE FROM KLEBSIELLA QUASIPNEUMONIAE IN COMPLEX WITH AVIBACTAM
Descriptor:Beta-lactamase, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Chang, C., Maltseva, N., Endres, M., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-22
Release date:2020-07-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Class D beta-lactamase from Klebsiella quasipneumoniae
To Be Published
6XIP
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THE 1.5 A CRYSTAL STRUCTURE OF THE CO-FACTOR COMPLEX OF NSP7 AND THE C-TERMINAL DOMAIN OF NSP8 FROM SARS COV-2
Descriptor:Non-structural protein 7, Non-structural protein 8, 1,2-ETHANEDIOL
Authors:Wilamowski, M., Kim, Y., Jedrzejczak, R., Maltseva, N., Endres, M., Godzik, A., Michalska, K., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-20
Release date:2020-07-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2
To Be Published
6XHL
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COVALENT COMPLEX OF SARS-COV MAIN PROTEASE WITH N-[(2S)-1-({(2S,3S)-3,4-DIHYDROXY-1-[(3S)-2-OXOPYRROLIDIN-3-YL]BUTAN-2-YL}AMINO)-4-METHYL-1-OXOPENTAN-2-YL]-4-METHOXY-1H-INDOLE-2-CARBOXAMIDE
Descriptor:3C-like proteinase, N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Gajiwala, K.S., Ferre, R.A., Ryan, K., Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
to be published
6XHM
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COVALENT COMPLEX OF SARS-COV-2 MAIN PROTEASE WITH N-[(2S)-1-({(2S,3S)-3,4-DIHYDROXY-1-[(3S)-2-OXOPYRROLIDIN-3-YL]BUTAN-2-YL}AMINO)-4-METHYL-1-OXOPENTAN-2-YL]-4-METHOXY-1H-INDOLE-2-CARBOXAMIDE
Descriptor:3C-like proteinase, N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, 1,2-ETHANEDIOL
Authors:Gajiwala, K.S., Ferre, R.A., Ryan, K., Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
to be published
6XHN
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COVALENT COMPLEX OF SARS-COV MAIN PROTEASE WITH 4-METHOXY-N-[(2S)-4-METHYL-1-OXO-1-({(2S)-3-OXO-1-[(3S)-2-OXOPYRROLIDIN-3-YL]BUTAN-2-YL}AMINO)PENTAN-2-YL]-1H-INDOLE-2-CARBOXAMIDE
Descriptor:3C-like proteinase, (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL
Authors:Gajiwala, K.S., Ferre, R.A., Ryan, K., Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
to be published
6XHO
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COVALENT COMPLEX OF SARS-COV MAIN PROTEASE WITH ETHYL (4R)-4-({N-[(4-METHOXY-1H-INDOL-2-YL)CARBONYL]-L-LEUCYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Descriptor:3C-like proteinase, 1,2-ETHANEDIOL, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Gajiwala, K.S., Ferre, R.A., Ryan, K., Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.446 Å)
Cite:The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
to be published
6XHU
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ROOM TEMPERATURE X-RAY CRYSTALLOGRAPHY REVEALS OXIDATION AND REACTIVITY OF CYSTEINE RESIDUES IN SARS-COV-2 3CL MPRO: INSIGHTS FOR ENZYME MECHANISM AND DRUG DESIGN
Descriptor:3C-like proteinase
Authors:Kneller, D.W., Coates, L., Kovalevsky, A.
Deposit date:2020-06-19
Release date:2020-07-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
To Be Published
6XGS
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CRYSTAL STRUCTURE OF DIHYDRODIPICOLINATE SYNTHASE (DHDPS) FROM BRUCELLA SUIS 1330
Descriptor:4-hydroxy-tetrahydrodipicolinate synthase, CITRIC ACID, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-06-18
Release date:2020-07-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Dihydrodipicolinate synthase (DHDPS) from Brucella suis 1330
to be published
6ZGE
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UNCLEAVABLE SPIKE PROTEIN OF SARS-COV-2 IN CLOSED CONFORMATION
Descriptor:Spike glycoprotein, N-ACETYL-D-GLUCOSAMINE
Authors:Wrobel, A.G., Benton, D.J., Rosenthal, P.B., Gamblin, S.J.
Deposit date:2020-06-18
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Evolution of SARS-CoV-2 spike glycoprotein
To be published
6ZGF
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SPIKE PROTEIN OF RATG13 BAT CORONAVIRUS IN CLOSED CONFORMATION
Descriptor:Spike glycoprotein, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Wrobel, A.G., Benton, D.J., Rosenthal, P.B., Gamblin, S.J.
Deposit date:2020-06-18
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Evolution of SARS-CoV-2 spike glycoprotein
To be published
6ZGG
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FURIN CLEAVED SPIKE PROTEIN OF SARS-COV-2 WITH ONE RBD ERECT
Descriptor:Spike glycoprotein
Authors:Wrobel, A.G., Benton, D.J., Rosenthal, P.B., Gamblin, S.J.
Deposit date:2020-06-18
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Evolution of SARS-CoV-2 spike glycoprotein
To be published
6ZGH
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FURIN CLEAVED SPIKE PROTEIN OF SARS-COV-2 IN INTERMEDIATE CONFORMATION
Descriptor:Receptor-type tyrosine-protein phosphatase S,Spike glycoprotein,Fibritin
Authors:Wrobel, A.G., Benton, D.J., Rosenthal, P.B., Gamblin, S.J.
Deposit date:2020-06-18
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Evolution of SARS-CoV-2 spike glycoprotein
To Be Published
6ZGI
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FURIN CLEAVED SPIKE PROTEIN OF SARS-COV-2 IN CLOSED CONFORMATION
Descriptor:Spike glycoprotein, N-ACETYL-D-GLUCOSAMINE
Authors:Wrobel, A.G., Benton, D.J., Rosenthal, P.B., Gamblin, S.J.
Deposit date:2020-06-18
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Evolution of SARS-CoV-2 spike glycoprotein
To be published
6XGP
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YSD1_17 MAJOR CAPSID PROTEIN
Descriptor:YSD1_17 major capsid protein
Authors:Grinter, R., Hardy, J.M., Dunstan, R., Lithgow, T.J., Coulibaly, F.J.
Deposit date:2020-06-17
Release date:2020-07-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The architecture and stabilisation of flagellotropic tailed bacteriophages
To Be Published
6XGQ
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YSD1 BACTERIOPHAGE CAPSID
Descriptor:YSD1_17, YSD1_16
Authors:Hardy, J.M., Dunstan, R., Venugopal, H., Lithgow, T.J., Coulibaly, F.J.
Deposit date:2020-06-17
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The architecture and stabilisation of flagellotropic tailed bacteriophages
To Be Published
6XGR
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YSD1 MAJOR TAIL PROTEIN
Descriptor:YSD1_22 major tail protein
Authors:Hardy, J.M., Dunstan, R., Venugopal, H., Lithgow, T.J., Coulibaly, F.J.
Deposit date:2020-06-17
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The architecture and stabilisation of flagellotropic tailed bacteriophages
To Be Published
6ZFF
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PYROCOCCUS FURIOSUS RAD50 COILED COILS IN ROD CONFIGURATION
Descriptor:DNA double-strand break repair Rad50 ATPase, ZINC ION
Authors:Soh, Y.M., Basquin, J., Gruber, S.
Deposit date:2020-06-17
Release date:2020-07-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:A rod conformation of the Pyrococcus furiosus Rad50 coiled coil
Biorxiv, 2020
6ZFO
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ASSOCIATION OF TWO COMPLEXES OF LARGELY STRUCTURALLY DISORDERED SPIKE ECTODOMAIN WITH BOUND EY6A FAB
Descriptor:Spike glycoprotein, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E., Zhou, D., Zhao, Y., Fry, E.E., Ren, J., Stuart, D.I.
Deposit date:2020-06-17
Release date:2020-07-08
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient
To Be Published