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2VVJ
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IrisFP fluorescent protein in its red form, cis conformation
分子名称: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION, SULFITE ION
著者Adam, V, Lelimousin, M, Boehme, S, Desfonds, G, Nienhaus, K, Field, M.J, Wiedenmann, J, McSweeney, S, Nienhaus, G.U, Bourgeois, D.
登録日2008-06-09
公開日2008-08-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Characterization of Irisfp, an Optical Highlighter Undergoing Multiple Photo-Induced Transformations.
Proc.Natl.Acad.Sci.USA, 105, 2008
1V0U
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BU of 1v0u by Molmil
Phospholipase D from Streptomyces sp. strain PMF soaked with the product glycerophosphate.
分子名称: PHOSPHITE ION, PHOSPHOLIPASE D
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-02
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
1V0R
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BU of 1v0r by Molmil
Tungstate-inhibited phospholipase D from Streptomyces sp. strain PMF
分子名称: PHOSPHOLIPASE D, TUNGSTATE(VI) ION
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-01
公開日2004-06-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
1V0V
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BU of 1v0v by Molmil
Phospholipase D from Streptomyces sp. strain PMF soaked with the substrate dibutyrylphosphatidylcholine.
分子名称: PHOSPHITE ION, PHOSPHOLIPASE D
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-02
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
1V0Y
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BU of 1v0y by Molmil
Phospholipase D from Streptomyces sp. strain PMF soaked with the substrate dibutyrylphosphatidylcholine.
分子名称: 2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE, PHOSPHOLIPASE D
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-02
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
1V0S
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BU of 1v0s by Molmil
Uninhibited form of Phospholipase D from Streptomyces sp. strain PMF
分子名称: PHOSPHOLIPASE D
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-01
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
1V0W
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BU of 1v0w by Molmil
Phospholipase D from Streptomyces sp. strain PMF soaked with the substrate dibutyrylphosphatidylcholine.
分子名称: PHOSPHITE ION, PHOSPHOLIPASE D
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-02
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
1V0T
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BU of 1v0t by Molmil
Phospholipase D from Streptomyces sp. strain PMF soaked with the product glycerophosphate
分子名称: PHOSPHITE ION, PHOSPHOLIPASE D
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-02
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
7K3T
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BU of 7k3t by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-13
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
1O7D
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BU of 1o7d by Molmil
The structure of the bovine lysosomal a-mannosidase suggests a novel mechanism for low pH activation
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Heikinheimo, P, Helland, R, Leiros, H.S, Leiros, I, Karlsen, S, Evjen, G, Ravelli, R, Schoehn, G, Ruigrok, R, Tollersrud, O.-K, Mcsweeney, S, Hough, E.
登録日2002-10-30
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structure of Bovine Lysosomal Alpha-Mannosidase Suggests a Novel Mechanism for Low-Ph Activation
J.Mol.Biol., 327, 2003
1SHQ
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BU of 1shq by Molmil
Crystal structure of shrimp alkaline phosphatase with magnesium in M3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, SULFATE ION, ...
著者de Backer, M.M.E, McSweeney, S, Lindley, P.F, Hough, E.
登録日2004-02-26
公開日2004-08-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand-binding and metal-exchange crystallographic studies on shrimp alkaline phosphatase.
Acta Crystallogr.,Sect.D, 60, 2004
2V1C
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BU of 2v1c by Molmil
Crystal structure and mutational study of RecOR provide insight into its role in DNA repair
分子名称: HYPOTHETICAL PROTEIN, RECOMBINATION PROTEIN RECR, ZINC ION
著者Timmins, J, Leiros, I, McSweeney, S.
登録日2007-05-23
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal Structure and Mutational Study of Recor Provide Insight Into its Mode of DNA Binding.
Embo J., 26, 2007
2W4E
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BU of 2w4e by Molmil
Structure of an N-terminally truncated Nudix hydrolase DR2204 from Deinococcus radiodurans
分子名称: MUTT/NUDIX FAMILY PROTEIN
著者Goncalves, A.M.D, Fioravanti, E, Stelter, M, McSweeney, S.
登録日2008-11-25
公開日2009-12-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of an N-Terminally Truncated Nudix Hydrolase Dr2204 from Deinococcus Radiodurans.
Acta Crystallogr.,Sect.F, 65, 2009
2VRN
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BU of 2vrn by Molmil
The structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily
分子名称: MAGNESIUM ION, PROTEASE I
著者Fioravanti, E, Dura, M.A, Lascoux, D, Micossi, E, McSweeney, S.
登録日2008-04-09
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily.
Biochemistry, 47, 2008
1USP
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BU of 1usp by Molmil
Organic Hydroperoxide Resistance Protein from Deinococcus radiodurans
分子名称: GLYCEROL, ORGANIC HYDROPEROXIDE RESISTANCE PROTEIN
著者Meunier-Jamin, C, Kapp, U, Leonard, G, McSweeney, S.
登録日2003-11-27
公開日2004-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Structure of the Organic Hydroperoxide Resistance Protein from Deinococcus Radiodurans: Do Conformational Changes Facilitate Recycling of the Redox Disulfide?
J.Biol.Chem., 279, 2004
1UTB
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BU of 1utb by Molmil
DntR from Burkholderia sp. strain DNT
分子名称: ACETATE ION, GLYCEROL, LYSR-TYPE REGULATORY PROTEIN
著者Smirnova, I.A, Dian, C, Leonard, G.A, McSweeney, S, Birse, D, Brzezinski, P.
登録日2003-12-05
公開日2004-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Development of a Bacterial Biosensor for Nitrotoluenes: The Crystal Structure of the Transcriptional Regulator Dntr
J.Mol.Biol., 340, 2004
1UTH
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BU of 1uth by Molmil
DntR from Burkholderia sp. strain DNT in complex with Thiocyanate
分子名称: LYSR-TYPE REGULATORY PROTEIN, THIOCYANATE ION
著者Smirnova, I.A, Dian, C, Leonard, G.A, McSweeney, S, Birse, D, Brzezinski, P.
登録日2003-12-09
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of a Bacterial Biosensor for Nitrotoluenes: The Crystal Structure of the Transcriptional Regulator Dntr
J.Mol.Biol., 340, 2004
1SHN
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BU of 1shn by Molmil
Crystal structure of shrimp alkaline phosphatase with phosphate bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, SULFATE ION, ...
著者de Backer, M.M.E, McSweeney, S, Lindley, P.F, Hough, E.
登録日2004-02-26
公開日2004-08-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ligand-binding and metal-exchange crystallographic studies on shrimp alkaline phosphatase.
Acta Crystallogr.,Sect.D, 60, 2004
7K6E
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BU of 7k6e by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K40
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form)
著者Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-14
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7JYC
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BU of 7jyc by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-08-30
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K6D
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BU of 7k6d by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9601 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MNG
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BU of 7mng by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
分子名称: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
著者Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2021-04-30
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7MHN
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Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1908 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022

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