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4AD2
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BU of 4ad2 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-isofagomine
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD3
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BU of 4ad3 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with Glucose-1,3-deoxymannojirimycin
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD1
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BU of 4ad1 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens
Descriptor: GLYCOSYL HYDROLASE FAMILY 71
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD5
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BU of 4ad5 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ...
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD0
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BU of 4ad0 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteriodes thetaiotaomicron in complex with BIS-TRIS-Propane
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-ALPHA-MANNOSIDASE, GLYCEROL
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ACZ
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BU of 4acz by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
Descriptor: ENDO-ALPHA-MANNOSIDASE, GLYCEROL
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
6TRT
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BU of 6trt by Molmil
Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) double cysteine mutant S180C/T742C.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, TERBIUM(III) ION, UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Zitzmann, N, Ibba, R, Hensen, M.
Deposit date:2019-12-19
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.58 Å)
Cite:Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
6TS8
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BU of 6ts8 by Molmil
Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) double cysteine mutant G177C/A786C.
Descriptor: UDP-glucose-glycoprotein glucosyltransferase-like protein
Authors:Roversi, P, Zitzmann, N, Ibba, R, Hensen, M, Chandran, A.
Deposit date:2019-12-20
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
6TRF
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BU of 6trf by Molmil
Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) purified from cells treated with kifunensine.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Zitzmann, N.
Deposit date:2019-12-18
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.106 Å)
Cite:Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
6TS2
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BU of 6ts2 by Molmil
Truncated version of Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) lacking domain TRXL2 (417-650).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, UDP-glucose-glycoprotein glucosyltransferase-like protein,UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Zitzmann, N.
Deposit date:2019-12-19
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (5.74 Å)
Cite:Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
5MHF
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BU of 5mhf by Molmil
Murine endoplasmic reticulum alpha-glucosidase I with N-9'-methoxynonyl-1-deoxynojirimycin.
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mannosyl-oligosaccharide glucosidase, ...
Authors:Hill, J.C, Caputo, A.T, Roversi, P, Zitzmann, N.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting Endoplasmic Reticulum alpha-Glucosidase I with a Single-Dose Iminosugar Treatment Protects against Lethal Influenza and Dengue Virus Infections.
J.Med.Chem., 2020
6FSN
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BU of 6fsn by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 1)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Roversi, P, Le Cornu, J.D, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2018-02-19
Release date:2019-03-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Front Mol Biosci, 2022
7GEH
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BU of 7geh by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-06d94977-2 (Mpro-x11432)
Descriptor: 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBG
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BU of 7gbg by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-1 (Mpro-x10329)
Descriptor: (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GAY
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BU of 7gay by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-031a96cc-8 (Mpro-x10022)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-phenyl-2-(pyridin-3-yl)prop-2-enamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GB9
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BU of 7gb9 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-11 (Mpro-x10248)
Descriptor: 2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBX
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BU of 7gbx by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-5a013bed-2 (Mpro-x10466)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBW
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BU of 7gbw by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-8 (Mpro-x10423)
Descriptor: (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBA
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BU of 7gba by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ANT-OPE-d972fbad-1 (Mpro-x10296)
Descriptor: 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCG
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BU of 7gcg by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-21 (Mpro-x10606)
Descriptor: 3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBD
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BU of 7gbd by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with RAL-MED-2de63afb-2 (Mpro-x10322)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCK
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BU of 7gck by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BAR-COM-0f94fc3d-48 (Mpro-x10638)
Descriptor: 2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBL
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BU of 7gbl by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with RAL-MED-2de63afb-1 (Mpro-x10371)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

220472

數據於2024-05-29公開中

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