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7P8I
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Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 1
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:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Evidence of SARS-CoV-2 Direct Evolution in R. affinis Bats Driven by Affinity and Dynamics Optimization of the Spike Protein
To Be Published
7RKS
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Structure of the SARS-CoV receptor binding domain in complex with the human neutralizing antibody Fab fragment, C118
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, C118 Antibody Fab Heavy Chain, ...
Authors:Jette, C.A, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-07-22
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
7RKU
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BU of 7rku by Molmil
Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C022 Antibody Fab Heavy Chain, C022 Antibody Fab Light Chain, ...
Authors:Jette, C.A, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-07-22
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
7RKV
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BU of 7rkv by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C118 (State 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Fab Heavy Chain, C118 Fab Light Chain, ...
Authors:Barnes, C.O, Jette, C.A, Bjorkman, P.J.
Deposit date:2021-07-22
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
7P77
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SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P7A
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SARS-CoV-2 spike protein in complex with sybody#68 in a 2up/1flexible 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (4.76 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P78
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BU of 7p78 by Molmil
SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 1up/1up-out/1down 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P79
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BU of 7p79 by Molmil
SARS-CoV-2 spike protein in complex with sybodyb#15 in a 1up/1up-out/1down 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P7B
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BU of 7p7b by Molmil
SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation
Descriptor: Spike glycoprotein
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7P55
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BU of 7p55 by Molmil
NMR structure of human ACE2 21-42 fragment in HFIP/water 50/50 v/v
Descriptor: Processed angiotensin-converting enzyme 2
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5Q
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BU of 7p5q by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineage B.1.1.7 S RBD 482-506 fragment in HFIP/H2O
Descriptor: Spike glycoprotein
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5S
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BU of 7p5s by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineages P.1 and B.1.351 S RBD 482-506 fragment in HFIP/H2O
Descriptor: Spike glycoprotein
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5G
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BU of 7p5g by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 S RBD 482-506 fragment in HFIP/H2O
Descriptor: Spike glycoprotein
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7RFR
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BU of 7rfr by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2021-07-14
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.626 Å)
Cite:An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFU
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BU of 7rfu by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2021-07-14
Release date:2021-11-10
Last modified:2022-01-05
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFW
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BU of 7rfw by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2021-07-14
Release date:2021-11-10
Last modified:2022-01-05
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFS
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BU of 7rfs by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2021-07-14
Release date:2021-11-10
Last modified:2022-01-05
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
Descriptor: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
Authors:Whitefield, C, Hong, N.S, Jackson, C.J.
Deposit date:2021-07-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
7P51
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BU of 7p51 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ...
Authors:Hanoulle, X, Moschidi, D.
Deposit date:2021-07-13
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.474 Å)
Cite:NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
7P40
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BU of 7p40 by Molmil
P5C3 is a potent fab neutralizer
Descriptor: Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL)
Authors:perez, L.
Deposit date:2021-07-09
Release date:2021-10-13
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
7FAC
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BU of 7fac by Molmil
Crystal Structure of C-terminus of the non-structural protein 2 from SARS coronavirus
Descriptor: Non-structural protein 2, ZINC ION
Authors:Li, Y.Y, Ren, Z.L, Bao, Z.H, Ming, Z.H, Yan, L.M, Lou, Z.Y, Rao, Z.H.
Deposit date:2021-07-06
Release date:2022-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The Life of SARS-CoV-2 Inside Cells: Replication-Transcription Complex Assembly and Function.
Annu.Rev.Biochem., 91, 2022

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PDB entries from 2024-08-07

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