8E4J
 
 | |
8E4R
 | |
8F44
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
|
|
8F45
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl dimethyl sulfane inhibitor (cyclopropyl ketoamide warhead) | | Descriptor: | (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
|
|
8F46
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | | Descriptor: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
|
|
7UO4
 | | SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
|
|
7UO7
 | | SARS-CoV-2 replication-transcription complex bound to ATP, in a pre-catalytic state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-structural protein 7, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
|
|
7UO9
 | | SARS-CoV-2 replication-transcription complex bound to UTP, in a pre-catalytic state | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
|
|
7UOB
 | | SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state | | Descriptor: | 3'-DEOXYURIDINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
|
|
7UOE
 | | SARS-CoV-2 replication-transcription complex bound to CTP, in a pre-catalytic state | | Descriptor: | 3'-DEOXYURIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
|
|
7WOP
 | | The local refined map of Omicron spike with bispecific antibody FD01 | | Descriptor: | 16L9, GW01, Spike protein S1 | | Authors: | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | Deposit date: | 2022-01-22 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOQ
 | | The state 1 of Omicron Spike with bispecific antibody FD01 | | Descriptor: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | Deposit date: | 2022-01-22 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOR
 | | The state 2 of Omicron Spike with bispecific antibody FD01 | | Descriptor: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | Authors: | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | Deposit date: | 2022-01-22 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOS
 | | The state 3 of Omicron Spike with bispecific antibody FD01 | | Descriptor: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | Authors: | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | Deposit date: | 2022-01-22 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOU
 | | The state 4 of Omicron Spike with bispecific antibody FD01 | | Descriptor: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | Authors: | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | Deposit date: | 2022-01-22 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOV
 | | The state 5 of Omicron Spike with bispecific antibody FD01 | | Descriptor: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | Authors: | Zhang, X, Zhan, W.Q, Sun, L, Chen, Z.G. | | Deposit date: | 2022-01-22 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOW
 | | The state 6 of Omicron Spike with bispecific antibody FD01 | | Descriptor: | 16L9 Fv, GW01 Fv, Spike glycoprotein | | Authors: | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | Deposit date: | 2022-01-22 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (6.11 Å) | | Cite: | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7Y75
 | | SIT1-ACE2-BA.2 RBD | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, Y.P, Li, Y.N, Zhang, Y.Y, Yan, R.H. | | Deposit date: | 2022-06-21 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of ACE2-SIT1 recognized by Omicron variants of SARS-CoV-2.
Cell Discov, 8, 2022
|
|
7ZV5
 | |
8DYA
 | |
8GWO
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
7LCR
 | | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | | Descriptor: | 3C-like proteinase, N~2~-{[(3-fluorophenyl)methoxy]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: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies.
Eur.J.Med.Chem., 222, 2021
|
|
7TYZ
 | | Cryo-EM structure of SARS-CoV-2 spike in complex with FSR22, an anti-SARS-CoV-2 DARPin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DARPin FSR22, ... | | Authors: | Kwon, Y.D, Gorman, J, Kwong, P.D. | | Deposit date: | 2022-02-15 | | Release date: | 2022-12-07 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023
|
|
7TZ0
 | |
7UZ4
 | |
