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7TBT
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BU of 7tbt by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 13/14
Descriptor: 3C-like proteinase, Nonstructural protein 13/14
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2021-12-22
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 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
7TC4
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BU of 7tc4 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16
Descriptor: 3C-like proteinase, GLYCEROL, Nonstructural protein 15/16
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2021-12-22
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 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
4I3R
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BU of 4i3r by Molmil
Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P3221
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ...
Authors:Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D.
Deposit date:2012-11-26
Release date:2013-01-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04.
J.Virol., 87, 2013
4I3S
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BU of 4i3s by Molmil
Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P21
Descriptor: CALCIUM ION, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ...
Authors:Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D.
Deposit date:2012-11-26
Release date:2013-01-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04.
J.Virol., 87, 2013
3U1S
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BU of 3u1s by Molmil
Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: Fab PGT145 Heavy chain, Fab PGT145 Light chain, GLYCEROL, ...
Authors:Julien, J.-P, Diwanji, D, Burton, D.R, Wilson, I.A.
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U46
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BU of 3u46 by Molmil
CH04H/CH02L P212121
Descriptor: CH02 Light chain Fab, CH04 Heavy chain Fab
Authors:Louder, R, Pancera, M, McLellan, J.S, Kwong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3TCL
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BU of 3tcl by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody CH04
Descriptor: CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE
Authors:Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D.
Deposit date:2011-08-09
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U4E
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BU of 3u4e by Molmil
Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain CAP45
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG9 Heavy Chain, PG9 Light Chain, ...
Authors:Gorman, J, McLellan, J, Pancera, M, Kwong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.185 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U4B
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BU of 3u4b by Molmil
CH04H/CH02L Fab P4
Descriptor: CH02 Light chain, CH04 Heavy chain
Authors:Pancera, M, Louder, R, Mclellan, J.S, KWong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U36
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BU of 3u36 by Molmil
Crystal Structure of PG9 Fab
Descriptor: PG9 Fab heavy chain, PG9 Fab light chain, SULFATE ION
Authors:McLellan, J.S, Kwong, P.D.
Deposit date:2011-10-04
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.281 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U2S
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BU of 3u2s by Molmil
Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain ZM109
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:McLellan, J.S, Pancera, M, Kwong, P.D.
Deposit date:2011-10-04
Release date:2011-11-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
4JB9
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BU of 4jb9 by Molmil
Crystal structure of antibody VRC06 in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, antibody VRC06 heavy chain, antibody VRC06 light chain, ...
Authors:Kwon, Y.D, Zhou, T, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-19
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
7MB9
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BU of 7mb9 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)
Descriptor: 3C-like proteinase, ARG-GLU-PRO-MET-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB4
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BU of 7mb4 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)
Descriptor: 3C-like proteinase, THR-SER-ALA-VAL-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB7
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BU of 7mb7 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)
Descriptor: 3C-like proteinase, ASN-ARG-ALA-THR-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB8
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BU of 7mb8 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)
Descriptor: 3C-like proteinase, SER-ALA-VAL-LYS-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB5
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BU of 7mb5 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp5/6 (P6-P1)
Descriptor: 3C-like proteinase, SER-GLY-VAL-THR-PHE-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
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
7MB6
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BU of 7mb6 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)
Descriptor: 3C-like proteinase, LYS-VAL-ALA-THR-VAL-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
8DSU
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BU of 8dsu by Molmil
Crystal Structure of SARS CoV-2 Mpro with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-07-22
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7C
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BU of 8e7c by Molmil
Crystal Structure of Porcine Deltacoronavirus (HKU-15) Mpro with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Main Protease, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-23
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7N
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BU of 8e7n by Molmil
Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-24
Release date:2023-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E5C
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BU of 8e5c by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states
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 nsp5, CHLORIDE ION, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-20
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8DT9
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BU of 8dt9 by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-07-25
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024

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数据于2024-07-24公开中

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