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PDB: 307 件
7RVV
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVZ
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI26
分子名称: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVQ
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BU of 7rvq by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVP
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BU of 7rvp by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI14
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVX
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24
分子名称: 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVN
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BU of 7rvn by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVY
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BU of 7rvy by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25
分子名称: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVT
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BU of 7rvt by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20
分子名称: 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
8W2W
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BU of 8w2w by Molmil
Structure of transthyretin synthetic mutation A120L
分子名称: Transthyretin
著者Yang, K, Sun, X, Ferguson, J.A, Stanfield, R.L, Wright, P.E.
登録日2024-02-21
公開日2024-02-28
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Mispacking of the F87 sidechain drives aggregation-promoting conformational fluctuations in the subunit interfaces of the transthyretin tetramer.
Protein Sci., 33, 2024
7RZU
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BU of 7rzu by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation
分子名称: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZS
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BU of 7rzs by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation
分子名称: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZR
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BU of 7rzr by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation
分子名称: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZT
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BU of 7rzt by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with S940F mutation
分子名称: SARS-CoV-2 HR1 S940F linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZV
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BU of 7rzv by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with V1176F mutation
分子名称: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.11 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZQ
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BU of 7rzq by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex
分子名称: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7JP0
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BU of 7jp0 by Molmil
Crystal structure of Mpro with inhibitor r1
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-07
公開日2021-10-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Mpro with inhibitor r1
To Be Published
2RN2
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BU of 2rn2 by Molmil
STRUCTURAL DETAILS OF RIBONUCLEASE H FROM ESCHERICHIA COLI AS REFINED TO AN ATOMIC RESOLUTION
分子名称: RIBONUCLEASE H
著者Katayanagi, K, Miyagawa, M, Matsushima, M, Ishikawa, M, Kanaya, S, Nakamura, H, Ikehara, M, Matsuzaki, T, Morikawa, K.
登録日1992-04-15
公開日1993-10-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural details of ribonuclease H from Escherichia coli as refined to an atomic resolution.
J.Mol.Biol., 223, 1992
7TIK
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BU of 7tik by Molmil
Structure of the SARS-CoV-2 Omicron spike post-fusion bundle
分子名称: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2022-01-13
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
2GTD
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BU of 2gtd by Molmil
Crystal Structure of a Type III Pantothenate Kinase: Insight into the Catalysis of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria
分子名称: Type III Pantothenate Kinase
著者Yang, K, Eyobo, Y, Brand, A.L, Martynowski, D, Tomchick, D.
登録日2006-04-27
公開日2006-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a Type III Pantothenate Kinase: Insight into the Mechanism of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria.
J.Bacteriol., 188, 2006
3BF3
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BU of 3bf3 by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with product phosphopantothenate
分子名称: MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Type III pantothenate kinase
著者Yang, K, Huerta, C, Strauss, E, Zhang, H.
登録日2007-11-20
公開日2008-06-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
3BF1
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BU of 3bf1 by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Type III pantothenate kinase
著者Yang, K, Huerta, C, Strauss, E, Zhang, H.
登録日2007-11-20
公開日2008-06-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
3BEX
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BU of 3bex by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate
分子名称: PANTOTHENOIC ACID, PHOSPHATE ION, Type III pantothenate kinase
著者Yang, K, Huerta, C, Strauss, E, Zhang, H.
登録日2007-11-20
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPY
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BU of 7jpy by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ4
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BU of 7jq4 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021

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件を2024-09-04に公開中

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