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4B7W
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BU of 4b7w by Molmil
Ligand binding domain human hepatocyte nuclear factor 4alpha: Apo form
分子名称: HEPATOCYTE NUCLEAR FACTOR 4-ALPHA
著者Dudasova, Z, Okvist, M, Kretova, M, Ondrovicova, G, Skrabana, R, LeGuevel, R, Salbert, G, Leonard, G, McSweeney, S, Barath, P.
登録日2012-08-24
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Fatty Acids are not Essential Structural Components of Hepatocyte Nuclear Factor 4Alpha
To be Published
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
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
1V0Y
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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2024-10-16
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
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
1N7A
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BU of 1n7a by Molmil
RIP-Radiation-damage Induced Phasing
分子名称: POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-13
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
7MHJ
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity
分子名称: 3C-like proteinase, 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 (2.0005 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHO
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BU of 7mho by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 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 (1.88 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHI
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BU of 7mhi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 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 (1.88 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 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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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2024-11-06
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
7MHQ
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Ensemble refinement structure of 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 temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHP
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BU of 7mhp by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity
分子名称: 3C-like proteinase, 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 (2.0005 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
1N7B
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BU of 1n7b by Molmil
RIP-Radiation-damage Induced Phasing
分子名称: POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-13
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
7MHH
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Crystal 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 tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MRR
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN
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2021-05-08
公開日2021-05-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.32 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
1N6X
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BU of 1n6x by Molmil
RIP-phasing on Bovine Trypsin
分子名称: BENZYLAMINE, CALCIUM ION, GLYCEROL, ...
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-12
公開日2003-03-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
1N6Y
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BU of 1n6y by Molmil
RIP-phasing on Bovine Trypsin
分子名称: BENZYLAMINE, CALCIUM ION, GLYCEROL, ...
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-12
公開日2003-03-04
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
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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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
1V0V
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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
1V0R
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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2024-10-23
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
2YG8
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Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA-3-methyladenine glycosidase II, ...
著者Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S.
登録日2011-04-11
公開日2011-04-20
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012

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