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Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-16
Method:	ELECTRON MICROSCOPY (3.27 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TEY

Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-16
Method:	ELECTRON MICROSCOPY (2.25 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TF3

Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484A spike protein
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-30
Method:	ELECTRON MICROSCOPY (2.25 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TF2

Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-30
Method:	ELECTRON MICROSCOPY (3.62 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TF4

Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein (focused refinement of RBD)
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-30
Method:	ELECTRON MICROSCOPY (3.01 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TF0

Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human ACE2
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-30
Method:	ELECTRON MICROSCOPY (3.02 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TF5

Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-30
Method:	ELECTRON MICROSCOPY (3.16 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TF1

Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein (focused refinement of RBD)
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-30
Method:	ELECTRON MICROSCOPY (3.57 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7TEX

Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:	Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:	2022-01-06
Release date:	2022-03-30
Method:	ELECTRON MICROSCOPY (3.27 Å)
Cite:	Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022

7SBU

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a highly potent antibody J08 Fab
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, J08 Fab heavy chain, ...
Authors:	Liu, H, Wilson, I.A.
Deposit date:	2021-09-25
Release date:	2022-05-11
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.53 Å)
Cite:	Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody. Proc.Natl.Acad.Sci.USA, 119, 2022

7T8R

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 7/8
Descriptor:	1,2-ETHANEDIOL, 3C-like proteinase, GLYCEROL, ...
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-16
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.74 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7TA7

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 10/11
Descriptor:	3C-like proteinase, GLYCEROL, Nonstructural protein 10/11
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-20
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.28 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7TB2

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 12/13
Descriptor:	3C-like proteinase, Nonstructural protein 12/13
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-21
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7TBT

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 13/14
Descriptor:	3C-like proteinase, Nonstructural protein 13/14
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-22
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.45 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7T8M

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 5/6
Descriptor:	3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-16
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7T70

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5
Descriptor:	3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-14
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.35 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7TC4

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16
Descriptor:	3C-like proteinase, GLYCEROL, Nonstructural protein 15/16
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-22
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.94 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7TA4

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 9/10
Descriptor:	3C-like proteinase, Nonstructural protein 9/10
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-20
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.78 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7T9Y

Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9
Descriptor:	3C-like proteinase, GLYCEROL, Nonstructural protein 8/9
Authors:	Shaqra, A.M, Schiffer, C.A.
Deposit date:	2021-12-20
Release date:	2022-06-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.18 Å)
Cite:	Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

7TEK

SARS-CoV-2 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-N-(3-chlorobenzyl)-2-(pyridin-3-yl)acetamide
Descriptor:	3C-like proteinase, N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
Authors:	Goins, C.M, Stauffer, S.R.
Deposit date:	2022-01-05
Release date:	2023-01-11
Last modified:	2023-10-25
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole Med.Chem.Res., 2023

7TEL

SARS-CoV-2 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-N-(3-chloro-5-fluorobenzyl)-2-(isoquinolin-4-yl)acetamide
Descriptor:	3C-like proteinase, N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide
Authors:	Goins, C.M, Stauffer, S.R.
Deposit date:	2022-01-05
Release date:	2023-01-11
Last modified:	2023-10-25
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole Med.Chem.Res., 2023

7T44

Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c
Descriptor:	(1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:	Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:	2021-12-09
Release date:	2021-12-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.45 Å)
Cite:	Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022

7T41

Structure of MERS 3CL protease in complex with inhibitor 14c
Descriptor:	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:	Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:	2021-12-09
Release date:	2021-12-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022

7T48

Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c
Descriptor:	(1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:	Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:	2021-12-09
Release date:	2021-12-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022

7T4A

Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c
Descriptor:	(1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:	Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:	2021-12-09
Release date:	2021-12-22
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022

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Total results:	1856
Displayed results:	25
Sorted by:	Hit score (from highest)
Query:	covid-19