Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

7MB3
DownloadVisualize
BU of 7mb3 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM145
Descriptor: 3C-like proteinase, N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM145
To Be Published
7MAT
DownloadVisualize
BU of 7mat by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR
Descriptor: 3C-like proteinase, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR
To Be Published
7MB2
DownloadVisualize
BU of 7mb2 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM144
Descriptor: 3C-like proteinase, 4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM144
To Be Published
7MB1
DownloadVisualize
BU of 7mb1 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM143
Descriptor: 3C-like proteinase, 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM143
To Be Published
7MAW
DownloadVisualize
BU of 7maw by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM129
Descriptor: 3C-like proteinase, ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM129
To Be Published
7MAV
DownloadVisualize
BU of 7mav by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFCit-yne
Descriptor: 3C-like proteinase, N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFCit-yne
To Be Published
7MAX
DownloadVisualize
BU of 7max by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM137
Descriptor: 3C-like proteinase, D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM137
To Be Published
7MAU
DownloadVisualize
BU of 7mau by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR-yne
Descriptor: 1,4-DIETHYLENE DIOXIDE, 3C-like proteinase, N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide, ...
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR-yne
To Be Published
7MB0
DownloadVisualize
BU of 7mb0 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM141
Descriptor: 3C-like proteinase, D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM141
To Be Published
7NFV
DownloadVisualize
BU of 7nfv by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C.
Deposit date:2021-02-07
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7NIO
DownloadVisualize
BU of 7nio by Molmil
Crystal structure of the SARS-CoV-2 helicase APO form
Descriptor: SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-12
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NN0
DownloadVisualize
BU of 7nn0 by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-23
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NG3
DownloadVisualize
BU of 7ng3 by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1.
Descriptor: 3C-like proteinase, CHLORIDE ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide
Authors:Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
Deposit date:2021-02-08
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7NG6
DownloadVisualize
BU of 7ng6 by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1 in absence of DTT.
Descriptor: 3C-like proteinase, ACETATE ION, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
Deposit date:2021-02-08
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
8OWT
DownloadVisualize
BU of 8owt by Molmil
SARS-CoV-2 spike RBD with A8 and H3 nanobodies bound
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A8, ...
Authors:Mikolajek, H, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWW
DownloadVisualize
BU of 8oww by Molmil
B5-5 nanobody bound to SARS-CoV-2 spike RBD (Wuhan)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, B5-5 nanobody, ...
Authors:Cornish, K.A.S, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWV
DownloadVisualize
BU of 8owv by Molmil
H6 and F2 nanobodies bound to SARS-CoV-2 spike RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2, GLYCEROL, ...
Authors:Mikolajek, H, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OYU
DownloadVisualize
BU of 8oyu by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OYT
DownloadVisualize
BU of 8oyt by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8Q93
DownloadVisualize
BU of 8q93 by Molmil
Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01
Descriptor: Nanobody Re21D01, Nanobody Re30H02, Spike protein S1
Authors:Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q95
DownloadVisualize
BU of 8q95 by Molmil
Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05
Descriptor: Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1
Authors:Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q94
DownloadVisualize
BU of 8q94 by Molmil
Crystal structure of The SARS-COV-2 BA.2.75 RBD with neutralizing-VHHs Re32D03 and Ma3B12
Descriptor: Nanobody Ma3B12, Nanobody Re32D03, Spike protein S1
Authors:Aksu, M, Guttler, T, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q7S
DownloadVisualize
BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
Authors:Guttler, T, Aksu, M, Gorlich, D.
Deposit date:2023-08-16
Release date:2023-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q4O
DownloadVisualize
BU of 8q4o by Molmil
RNA G-quadruplex from the 5'-UTR of human tyrosine kinase 2 (TYK2)
Descriptor: RNA (5'-R(*CP*GP*GP*UP*AP*GP*CP*GP*GP*GP*UP*AP*UP*GP*GP*GP*UP*CP*CP*GP*GP*GP*U)-3')
Authors:Toplishek, M, Kocman, V.
Deposit date:2023-08-07
Release date:2024-03-06
Method:SOLUTION NMR
Cite:High-Resolution Structure of RNA G-Quadruplex Containing Unique Structural Motifs Originating from the 5'-UTR of Human Tyrosine Kinase 2 (TYK2).
Acs Omega, 9, 2024
8QPR
DownloadVisualize
BU of 8qpr by Molmil
SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ...
Authors:Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
Deposit date:2023-10-03
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024

224004

PDB entries from 2024-08-21

PDB statisticsPDBj update infoContact PDBjnumon