Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7MB4
DownloadVisualize
BU of 7mb4 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)
分子名称: 3C-like proteinase, THR-SER-ALA-VAL-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB8
DownloadVisualize
BU of 7mb8 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)
分子名称: 3C-like proteinase, SER-ALA-VAL-LYS-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB5
DownloadVisualize
BU of 7mb5 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp5/6 (P6-P1)
分子名称: 3C-like proteinase, SER-GLY-VAL-THR-PHE-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB6
DownloadVisualize
BU of 7mb6 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)
分子名称: 3C-like proteinase, LYS-VAL-ALA-THR-VAL-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB7
DownloadVisualize
BU of 7mb7 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)
分子名称: 3C-like proteinase, ASN-ARG-ALA-THR-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7M9W
DownloadVisualize
BU of 7m9w by Molmil
HIV-1 Protease (I84V) in Complex with NR02-73
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献HIV-1 Protease (I84V) in Complex with NR02-73
To Be Published
7M9S
DownloadVisualize
BU of 7m9s by Molmil
HIV-1 Protease WT (NL4-3) in Complex with NR01-141
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献HIV-1 Protease WT (NL4-3) in Complex with NR01-141
To Be Published
7M9X
DownloadVisualize
BU of 7m9x by Molmil
HIV-1 Protease (I84V) in Complex with NR02-79
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献HIV-1 Protease (I84V) in Complex with NR02-79
To Be Published
7M9V
DownloadVisualize
BU of 7m9v by Molmil
HIV-1 Protease (I84V) in Complex with NR01-141
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献HIV-1 Protease (I84V) in Complex with NR01-141
To Be Published
7MMD
DownloadVisualize
BU of 7mmd by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-19
分子名称: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
7M9T
DownloadVisualize
BU of 7m9t by Molmil
HIV-1 Protease WT (NL4-3) in Complex with NR02-73
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 Protease WT (NL4-3) in Complex with NR02-73
To Be Published
7M9U
DownloadVisualize
BU of 7m9u by Molmil
HIV-1 Protease WT (NL4-3) in Complex with NR02-79
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献HIV-1 Protease WT (NL4-3) in Complex with NR02-79
To Be Published
7MAZ
DownloadVisualize
BU of 7maz by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM139
分子名称: 3C-like proteinase, 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM139
To Be Published
7MB3
DownloadVisualize
BU of 7mb3 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM145
分子名称: 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
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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
分子名称: 3C-like proteinase, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献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
分子名称: 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
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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
分子名称: 3C-like proteinase, 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献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
分子名称: 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
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献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
分子名称: 3C-like proteinase, N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献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
分子名称: 3C-like proteinase, D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
分子名称: 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, ...
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 3C-like proteinase, D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM141
To Be Published
7MA7
DownloadVisualize
BU of 7ma7 by Molmil
HIV-1 Protease (I84V) in Complex with UMass7
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献HIV-1 Protease (I84V) in Complex with UMass7
To Be Published
7MAA
DownloadVisualize
BU of 7maa by Molmil
HIV-1 Protease (I84V) in Complex with UMass10
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献HIV-1 Protease (I84V) in Complex with UMass10
To Be Published
7MA9
DownloadVisualize
BU of 7ma9 by Molmil
HIV-1 Protease (I84V) in Complex with UMass9
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HIV-1 Protease (I84V) in Complex with UMass9
To Be Published

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon