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7TAS
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BU of 7tas by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (local refinement of the RBD and S2K146)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, S2K146 Fab light chain, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-21
Release date:2022-01-12
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022
7TAT
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BU of 7tat by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (two receptor-binding domains open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2021-12-21
Release date:2022-01-12
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022
7TAU
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BU of 7tau by Molmil
Refined capsid structure of human adenovirus D26 at 3.4 A resolution
Descriptor: Fiber, Hexon protein, PIX, ...
Authors:Reddy, V.S, Yu, X, Barry, M.A.
Deposit date:2021-12-21
Release date:2022-03-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Refined Capsid Structure of Human Adenovirus D26 at 3.4 angstrom Resolution.
Viruses, 14, 2022
7TB2
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BU of 7tb2 by Molmil
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
7T9W
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BU of 7t9w by Molmil
Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2
Descriptor: CHLORIDE ION, GLYCEROL, Papain-like protease nsp3
Authors:Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-20
Release date:2021-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2
To Be Published
7TA4
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BU of 7ta4 by Molmil
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
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BU of 7t9y by Molmil
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
7TA7
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BU of 7ta7 by Molmil
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
7QLF
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BU of 7qlf by Molmil
Conformational ensemble of solnatide in solution
Descriptor: Tumor necrosis factor
Authors:Macias, M.J, Martin-Malpartida, P.
Deposit date:2021-12-20
Release date:2022-06-08
Method:SOLUTION NMR
Cite:Conformational ensemble of the TNF-derived peptide solnatide in solution.
Comput Struct Biotechnol J, 20, 2022
7WD1
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BU of 7wd1 by Molmil
Crystal structure of R14 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7T9J
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BU of 7t9j by Molmil
Cryo-EM structure of the SARS-CoV-2 Omicron 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Tuttle, K.S, Subramaniam, S.
Deposit date:2021-12-19
Release date:2021-12-29
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex.
Science, 375, 2022
7T9K
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BU of 7t9k by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Tuttle, K.S, Subramaniam, S.
Deposit date:2021-12-19
Release date:2021-12-29
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex.
Science, 375, 2022
7T9L
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BU of 7t9l by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Tuttle, K.S, Subramaniam, S.
Deposit date:2021-12-19
Release date:2021-12-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex.
Science, 375, 2022
7QL8
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BU of 7ql8 by Molmil
SARS-COV2 Main Protease in complex with inhibitor MG78
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2021-12-19
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
7QKB
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BU of 7qkb by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound GC376
Descriptor: CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QKD
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BU of 7qkd by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound MG132
Descriptor: ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
7QKA
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BU of 7qka by Molmil
Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QKC
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BU of 7qkc by Molmil
Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin
Descriptor: Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7WBP
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BU of 7wbp by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with its receptor 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, Angiotensin-converting enzyme 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBL
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BU of 7wbl by Molmil
Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBQ
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BU of 7wbq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor 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, Angiotensin-converting enzyme 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7T8R
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BU of 7t8r by Molmil
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
7T8M
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BU of 7t8m by Molmil
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
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BU of 7t70 by Molmil
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

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PDB entries from 2024-07-10

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