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PDB: 179 件
3I8X
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Structure of the cytosolic domain of E. coli FeoB, GDP-bound form
分子名称: Ferrous iron transport protein B, GUANOSINE-5'-DIPHOSPHATE
著者Petermann, N, Hansen, G, Hogg, T, Hilgenfeld, R.
登録日2009-07-10
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the intrinsic GTPase and GDI activities of FeoB, a prokaryotic transmembrane GTP/GDP-binding protein
To be Published
3IBY
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Structure of cytosolic domain of L. pneumophila FeoB
分子名称: Ferrous iron transport protein B
著者Petermann, N, Hansen, G, Hilgenfeld, R.
登録日2009-07-17
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the GTPase and GDI domains of FeoB, the ferrous iron transporter of Legionella pneumophila.
Febs Lett., 584, 2010
3I8S
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Structure of the cytosolic domain of E. coli FeoB, nucleotide-free form
分子名称: Ferrous iron transport protein B
著者Petermann, N, Hansen, G, Hogg, T, Hilgenfeld, R.
登録日2009-07-10
公開日2009-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the intrinsic GTPase and GDI activities of FeoB, a prokaryotic transmembrane GTP/GDP-binding protein
To be Published
8C9L
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Crystal structure of SARS-CoV-2 Mpro-S144A mutant, free enzyme
分子名称: 3C-like proteinase nsp5
著者El Kilani, H, Ibrahim, M, Hilgenfeld, R.
登録日2023-01-23
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-S144A mutant, free enzyme
To Be Published
8C9O
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Crystal structure of SARS-CoV-2 Mpro-S144A mutant in complex with 13b-K
分子名称: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Ibrahim, M, El Kilani, H, Hilgenfeld, R.
登録日2023-01-23
公開日2024-02-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro_S144A mutant in complex with 13b-K
To Be Published
8C9P
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Crystal structure of SARS-CoV-2 Mpro-E166V mutant, free enzyme
分子名称: 3C-like proteinase nsp5
著者El Kilani, H, Ibrahim, M, Hilgenfeld, R.
登録日2023-01-23
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-A166V mutant, free enzyme
To Be Published
8C9U
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Crystal structure of SARS-CoV-2 Mpro-Q189K mutant in complex with nirmatrelvir
分子名称: (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, Non-structural protein 11
著者El Kilani, H, Hilgenfeld, R.
登録日2023-01-23
公開日2024-08-07
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-Q189K mutant in complex with nirmatrelvir
To Be Published
8C9Q
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Crystal structure of SARS-CoV-2 Mpro-Q189K mutant in complex with 13b-K
分子名称: Non-structural protein 11, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者El Kilani, H, Hilgenfeld, R.
登録日2023-01-23
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-Q189K mutant in complex with 13b-K
To Be Published
8CA8
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Crystal structure of SARS-CoV-2 Mpro-H172Y mutant, free enzyme
分子名称: 3C-like proteinase nsp5, CHLORIDE ION
著者El Kilani, H, Ibrahim, M, Hilgenfeld, R.
登録日2023-01-24
公開日2024-08-07
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-H172Y mutant, free enzyme
To Be Published
8CA6
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Crystal structure of SARS-CoV-2 Mpro-Q189K mutant, free enzyme
分子名称: Non-structural protein 11
著者El Kilani, H, Hilgenfeld, R.
登録日2023-01-24
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-Q189K mutant, free enzyme
To Be Published
8CAC
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Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Ibrahim, M, El Kilani, H, Hilgenfeld, R.
登録日2023-01-24
公開日2024-08-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K
To Be Published
8CAJ
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BU of 8caj by Molmil
Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K
分子名称: Non-structural protein 11, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者El Kilani, H, Hilgenfeld, R.
登録日2023-01-24
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K
To Be Published
1F13
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RECOMBINANT HUMAN CELLULAR COAGULATION FACTOR XIII
分子名称: CELLULAR COAGULATION FACTOR XIII ZYMOGEN
著者Weiss, M.S, Hilgenfeld, R.
登録日1998-01-16
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two non-proline cis peptide bonds may be important for factor XIII function.
FEBS Lett., 423, 1998
2CIJ
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membrane-bound glutamate carboxypeptidase II (GCPII) with bound methionine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Barinka, C, Plechanovova, A, Rulisek, L, Mlcochova, P, Majer, P, Slusher, B.S, Hilgenfeld, R, Mesters, J.R, Konvalinka, J.
登録日2006-03-21
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Glutamate Carboxypeptidase II
Handbook of Metalloproteins, 4, 2011
1IZH
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Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
分子名称: proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J.
登録日2002-10-02
公開日2002-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
6Y2F
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Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Zhang, L, Lin, D, Sun, X, Hilgenfeld, R.
登録日2020-02-15
公開日2020-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
1IZI
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Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
分子名称: CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J.
登録日2002-10-02
公開日2002-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
6Y7M
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Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Zhang, L, Lin, D, Hilgenfeld, R.
登録日2020-03-01
公開日2020-03-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
6Y2E
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Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease
分子名称: 3C-like proteinase
著者Zhang, L, Sun, X, Hilgenfeld, R.
登録日2020-02-15
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
2J98
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Human coronavirus 229E non structural protein 9 cys69ala mutant (Nsp9)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, REPLICASE POLYPROTEIN 1AB
著者Ponnusamy, R, Mesters, J.R, Moll, R, Hilgenfeld, R.
登録日2006-11-03
公開日2007-11-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Variable Oligomerization Modes in Coronavirus Non-Structural Protein 9.
J.Mol.Biol., 383, 2008
2J97
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BU of 2j97 by Molmil
Human coronavirus 229E non structural protein 9 (Nsp9)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, REPLICASE POLYPROTEIN 1AB, SULFATE ION
著者Ponnusamy, R, Mesters, J.R, Moll, R, Hilgenfeld, R.
登録日2006-11-03
公開日2007-11-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Variable Oligomerization Modes in Coronavirus Non-Structural Protein 9.
J.Mol.Biol., 383, 2008
6Z2E
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Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone
分子名称: (4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide, 3C-like proteinase, CHLORIDE ION, ...
著者Zhang, L, Hilgenfeld, R.
登録日2020-05-15
公開日2020-06-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone
To Be Published
3EJG
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BU of 3ejg by Molmil
Crystal structure of HCoV-229E X-domain
分子名称: Non-structural protein 3
著者Piotrowski, Y, Hansen, G, Hilgenfeld, R.
登録日2008-09-18
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
3EKE
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Crystal structure of IBV X-domain at pH 5.6
分子名称: L(+)-TARTARIC ACID, Non-structural protein 3
著者Piotrowski, Y, Hansen, G, Hilgenfeld, R.
登録日2008-09-19
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
3EJF
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Crystal structure of IBV X-domain at pH 8.5
分子名称: Non-structural protein 3
著者Piotrowski, Y, Hansen, G, Hilgenfeld, R.
登録日2008-09-18
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009

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