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6EP5
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BU of 6ep5 by Molmil
Enterococcus faecalis FIC protein in complex with ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Fic family protein
Authors:Veyron, S, Cherfils, J.
Deposit date:2017-10-10
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.928 Å)
Cite:A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins.
Nat Commun, 10, 2019
6EP2
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BU of 6ep2 by Molmil
Enterococcus faecalis FIC protein in complex with ADP and calcium ion.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fic family protein
Authors:Veyron, S, Cherfils, J.
Deposit date:2017-10-10
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins.
Nat Commun, 10, 2019
6ER8
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BU of 6er8 by Molmil
Enterococcus faecalis FIC protein in complex with phosphate.
Descriptor: ACETATE ION, Fic family protein, PHOSPHATE ION
Authors:Veyron, S, Cherfils, J.
Deposit date:2017-10-17
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins.
Nat Commun, 10, 2019
1FS6
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BU of 1fs6 by Molmil
GLUCOSAMINE-6-PHOSPHATE DEAMINASE FROM E.COLI, T CONFORMER, AT 2.2A RESOLUTION
Descriptor: GLUCOSAMINE-6-PHOSPHATE DEAMINASE
Authors:Rudino-Pinera, E, Morales-Arrieta, S, Rojas-Trejo, S.P, Horjales, E.
Deposit date:2000-09-08
Release date:2002-01-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase.
Acta Crystallogr.,Sect.D, 58, 2002
1FS5
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BU of 1fs5 by Molmil
A DISCOVERY OF THREE ALTERNATE CONFORMATIONS IN THE ACTIVE SITE OF GLUCOSAMINE-6-PHOSPHATE ISOMERASE
Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLUCOSAMINE-6-PHOSPHATE DEAMINASE, L(+)-TARTARIC ACID
Authors:Rudino-Pinera, E, Morales-Arrieta, S, Rojas-Trejo, S.P, Horjales, E.
Deposit date:2000-09-08
Release date:2002-01-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase.
Acta Crystallogr.,Sect.D, 58, 2002
1FQO
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BU of 1fqo by Molmil
GLUCOSAMINE 6-PHOSPHATE DEAMINASE COMPLEXED WITH THE SUBSTRATE OF THE REVERSE REACTION FRUCTOSE 6-PHOSPHATE (OPEN FORM)
Descriptor: FRUCTOSE -6-PHOSPHATE, GLUCOSAMINE-6-PHOSPHATE DEAMINASE
Authors:Rudino-Pinera, E, Morales-Arrieta, S, Rojas-Trejo, S.P, Horjales, E.
Deposit date:2000-09-06
Release date:2002-01-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase.
Acta Crystallogr.,Sect.D, 58, 2002
1FRZ
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BU of 1frz by Molmil
GLUCOSAMINE-6-PHOSPHATE DEAMINASE FROM E.COLI, R CONFORMER. COMPLEXED WITH THE ALLOSTERIC ACTIVATOR N-ACETYL-GLUCOSAMINE-6-PHOSPHATE AT 2.2 A RESOLUTION
Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLUCOSAMINE-6-PHOSPHATE DEAMINASE
Authors:Rudino-Pinera, E, Morales-Arrieta, S, Rojas-Trejo, S.P, Horjales, E.
Deposit date:2000-09-07
Release date:2002-01-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase.
Acta Crystallogr.,Sect.D, 58, 2002
1FSF
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BU of 1fsf by Molmil
GLUCOSAMINE-6-PHOSPHATE DEAMINASE FROM E.COLI, T CONFORMER, AT 1.9A RESOLUTION
Descriptor: GLUCOSAMINE-6-PHOSPHATE DEAMINASE
Authors:Rudino-Pinera, E, Morales-Arrieta, S, Rojas-Trejo, S.P, Horjales, E.
Deposit date:2000-09-08
Release date:2002-01-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase.
Acta Crystallogr.,Sect.D, 58, 2002
5NV5
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BU of 5nv5 by Molmil
Enterococcus faecalis FIC protein
Descriptor: Fic family protein
Authors:Veyron, S, Cherfils, J.
Deposit date:2017-05-03
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins.
Nat Commun, 10, 2019
5NWF
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BU of 5nwf by Molmil
Enterococcus faecalis FIC protein (H111A).
Descriptor: Fic family protein
Authors:Veyron, S, Cherfils, J.
Deposit date:2017-05-05
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins.
Nat Commun, 10, 2019
1JLH
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BU of 1jlh by Molmil
Human Glucose-6-phosphate Isomerase
Descriptor: phosphoglucose isomerase
Authors:Cordeiro, A.T.
Deposit date:2001-07-16
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human phosphoglucose isomerase and analysis of the initial catalytic steps
BIOCHIM.BIOPHYS.ACTA, 1645, 2003
1ORE
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BU of 1ore by Molmil
Human Adenine Phosphoribosyltransferase
Descriptor: ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase, CHLORIDE ION
Authors:Thiemann, O.H, Silva, M, Oliva, G, Silva, C.H.T.P, Iulek, J.
Deposit date:2003-03-12
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of human adenine phosphoribosyltransferase and its relation to DHA-urolithiasis.
Biochemistry, 43, 2004
1NE7
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BU of 1ne7 by Molmil
HUMAN GLUCOSAMINE-6-PHOSPHATE DEAMINASE ISOMERASE AT 1.75 A RESOLUTION COMPLEXED WITH N-ACETYL-GLUCOSAMINE-6-PHOSPHATE AND 2-DEOXY-2-AMINO-GLUCITOL-6-PHOSPHATE
Descriptor: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Glucosamine-6-phosphate isomerase, ...
Authors:Arreola, R, Valderrama, B, Morante, M.L, Horjales, E.
Deposit date:2002-12-10
Release date:2003-09-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Two mammalian glucosamine-6-phosphate deaminases: a structural and genetic study.
Febs Lett., 551, 2003
1GQ0
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BU of 1gq0 by Molmil
Solution structure of Antiamoebin I, a membrane channel-forming polypeptide; NMR, 20 structures
Descriptor: ANTIAMOEBIN I
Authors:Galbraith, T.P, Harris, R, Driscoll, P.C, Wallace, B.A.
Deposit date:2001-11-16
Release date:2003-01-24
Last modified:2017-12-20
Method:SOLUTION NMR
Cite:Solution NMR studies of antiamoebin, a membrane channel-forming polypeptide.
Biophys. J., 84, 2003
1LGN
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BU of 1lgn by Molmil
DECAMERIC DAMP COMPLEX OF HUMAN SERUM AMYLOID P COMPONENT
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CALCIUM ION, SERUM AMYLOID P COMPONENT
Authors:Hohenester, E, Pepys, M.B, Wood, S.P.
Deposit date:1996-12-04
Release date:1997-12-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a decameric complex of human serum amyloid P component with bound dAMP.
J.Mol.Biol., 269, 1997
7GH9
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BU of 7gh9 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-362d364a-10 (Mpro-x2971)
Descriptor: 2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-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 (1.57 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GHG
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BU of 7ghg 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 DAV-CRI-3edb475e-4 (Mpro-x3324)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]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 (1.45 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GD7
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BU of 7gd7 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 ADA-UNI-f8e79267-2 (Mpro-x10889)
Descriptor: (2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-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 (1.509 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GHH
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BU of 7ghh 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 TOB-UNK-c2aba166-1 (Mpro-x3325)
Descriptor: 1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-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 (1.56 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GDH
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BU of 7gdh 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 LOR-NEU-c8f11034-6 (Mpro-x11001)
Descriptor: (3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-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 (1.891 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GB2
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BU of 7gb2 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 MED-COV-4280ac29-25 (Mpro-x10155)
Descriptor: 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-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 (1.5 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GDN
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BU of 7gdn 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-0e996074-1 (Mpro-x11159)
Descriptor: (4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 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 (1.351 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBI
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BU of 7gbi 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 JAG-UCB-a3ef7265-3 (Mpro-x10338)
Descriptor: (3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide, 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 (1.291 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GDY
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BU of 7gdy 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 LOR-NOR-30067bb9-6 (Mpro-x11258)
Descriptor: (3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-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 (1.611 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBZ
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BU of 7gbz 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 MAT-POS-590ac91e-11 (Mpro-x10474)
Descriptor: (3S)-3,4-dimethyl-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 (1.529 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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