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6XK0
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BU of 6xk0 by Molmil
Albumin-dexamethasone complex
Descriptor: Albumin, CITRATE ANION, DEXAMETHASONE, ...
Authors:Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2020-06-24
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy.
Iucrj, 7, 2020
7YSX
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BU of 7ysx by Molmil
Crystal structure of PDE4D complexed with licoisoflavone A
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-13
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YQF
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BU of 7yqf by Molmil
Crystal structure of PDE4D complexed with glycyrrhisoflavone
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-06
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
8D4P
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BU of 8d4p by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
Descriptor: 2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide, 3C-like proteinase
Authors:Butler, S.G, Chen, Y, Wang, J.
Deposit date:2022-06-02
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
To Be Published
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
Descriptor: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:Chao, A, DuPrez, K.T, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
7E7D
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BU of 7e7d by Molmil
Cryo-EM structure of the SARS-CoV-2 wild-type S-Trimer from a subunit vaccine candidate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-OCTADECENOIC ACID, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
7E7B
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BU of 7e7b by Molmil
Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate
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-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
8HI9
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BU of 8hi9 by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin
Descriptor: 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5
Authors:Su, H.X, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2022-11-19
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19.
Pharmaceuticals, 16, 2023
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ...
Authors:Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
Deposit date:2022-01-23
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 heavy chain, ...
Authors:Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
Deposit date:2022-01-23
Release date:2023-03-08
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7EIN
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BU of 7ein by Molmil
SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin
Descriptor: 3C-like proteinase, leupeptin
Authors:Fu, L.F, Feng, Y, Qi, J.X, Gao, G.F.
Deposit date:2021-03-31
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Microbial Metabolite Leupeptin in the Treatment of COVID-19 by Traditional Chinese Medicine Herbs.
Mbio, 12, 2021
7VU6
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BU of 7vu6 by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Yamamoto, S, Yamane, J, Tachibana, Y.
Deposit date:2021-11-01
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
7VTH
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BU of 7vth by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1
Descriptor: 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase
Authors:Yamamoto, S, Tachibana, Y.
Deposit date:2021-10-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
7EA6
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BU of 7ea6 by Molmil
Crystal structure of TCR-017 ectodomain
Descriptor: T cell receptor 017 alpha chain, T cell receptor 017 beta chain
Authors:Nagae, M, Yamasaki, S.
Deposit date:2021-03-06
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18000245 Å)
Cite:Identification of conserved SARS-CoV-2 spike epitopes that expand public cTfh clonotypes in mild COVID-19 patients.
J.Exp.Med., 218, 2021
8UAB
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BU of 8uab by Molmil
SARS-CoV-2 main protease (Mpro) complex with AC1115
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:DuPrez, K.T, Chao, A, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
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
8G72
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BU of 8g72 by Molmil
SARS-CoV-2 spike/Nb2 complex with 1 RBD up (local refinement at 5.6 A)
Descriptor: Nanosota-2, Spike glycoprotein
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
8G74
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BU of 8g74 by Molmil
SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
8G75
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BU of 8g75 by Molmil
SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-4, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
8G73
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BU of 8g73 by Molmil
SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 bound at 2.5 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
7RBY
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BU of 7rby by Molmil
Crystal structure of Nanobody nb112 and SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ilama-isolated nanobody NIH-CoV nb-112 specific to SARS-CoV-2 RBD, MAGNESIUM ION, ...
Authors:Chen, Y, Tolbert, W, Pazgier, M.
Deposit date:2021-07-06
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Nebulized delivery of a broadly neutralizing SARS-CoV-2 RBD-specific nanobody prevents clinical, virological, and pathological disease in a Syrian hamster model of COVID-19.
Mabs, 14
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
Descriptor: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published

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PDB entries from 2024-09-18

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