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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
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
7MHQ
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BU of 7mhq by Molmil
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
7MRR
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BU of 7mrr by Molmil
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2023-10-18
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
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
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
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
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
2CE4
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BU of 2ce4 by Molmil
Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans
分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN]
著者Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S.
登録日2006-02-03
公開日2006-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
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
2CDY
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BU of 2cdy by Molmil
Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans
分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN]
著者Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S.
登録日2006-01-31
公開日2006-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
2BHU
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BU of 2bhu by Molmil
Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE, ...
著者Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S.
登録日2005-01-18
公開日2005-03-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
2BHZ
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BU of 2bhz by Molmil
Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase in complex with maltose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
著者Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S.
登録日2005-01-20
公開日2005-03-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
2C2U
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BU of 2c2u by Molmil
Dps from Deinococcus radiodurans
分子名称: DNA-BINDING STRESS RESPONSE PROTEIN, FE (III) ION, SULFATE ION, ...
著者Romao, C.V, Mitchell, E, McSweeney, S.
登録日2005-09-30
公開日2006-07-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Crystal Structure of Deinococcus Radiodurans Dps Protein (Dr2263) Reveals the Presence of a Novel Metal Centre in the N Terminus.
J.Biol.Inorg.Chem., 11, 2006
2C2P
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BU of 2c2p by Molmil
The crystal structure of mismatch specific uracil-DNA glycosylase (MUG) from Deinococcus radiodurans
分子名称: ACETATE ION, G/U MISMATCH-SPECIFIC DNA GLYCOSYLASE
著者Moe, E, Leiros, I, Smalas, A.O, McSweeney, S.
登録日2005-09-29
公開日2005-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Crystal Structure of Mismatch Specific Uracil-DNA Glycosylase (Mug) from Deinococcus Radiodurans Reveals a Novel Catalytic Residue and Broad Substrate Specificity
J.Biol.Chem., 281, 2006
2BOO
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BU of 2boo by Molmil
The crystal structure of Uracil-DNA N-Glycosylase (UNG) from Deinococcus radiodurans.
分子名称: NITRATE ION, URACIL-DNA GLYCOSYLASE
著者Leiros, I, Moe, E, Smalas, A.O, McSweeney, S.
登録日2005-04-13
公開日2005-07-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Uracil-DNA N-Glycosylase (Ung) from Deinococcus Radiodurans.
Acta Crystallogr.,Sect.D, 61, 2005
2C2Q
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BU of 2c2q by Molmil
The crystal structure of mismatch specific uracil-DNA glycosylase (MUG) from Deinococcus radiodurans. Inactive mutant Asp93Ala.
分子名称: ACETATE ION, G/U MISMATCH-SPECIFIC DNA GLYCOSYLASE
著者Moe, E, Leiros, I, Smalas, A.O, McSweeney, S.
登録日2005-09-29
公開日2005-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of Mismatch Specific Uracil-DNA Glycosylase (Mug) from Deinococcus Radiodurans Reveals a Novel Catalytic Residue and Broad Substrate Specificity
J.Biol.Chem., 281, 2006
2C2F
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BU of 2c2f by Molmil
Dps from Deinococcus radiodurans
分子名称: DNA-BINDING STRESS RESPONSE PROTEIN, FE (III) ION, GLYCEROL, ...
著者Romao, C.V, Mitchell, E, McSweeney, S.
登録日2005-09-28
公開日2006-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The Crystal Structure of Deinococcus Radiodurans Dps Protein (Dr2263) Reveals the Presence of a Novel Metal Centre in the N Terminus.
J.Biol.Inorg.Chem., 11, 2006
2BHY
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BU of 2bhy by Molmil
Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase in complex with trehalose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
著者Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S.
登録日2005-01-20
公開日2005-03-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
8F6T
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BU of 8f6t by Molmil
Cryo-EM structure of alkane 1-monooxygenase AlkB-AlkG complex from Fontimonas thermophila
分子名称: Alkane 1-monooxygenase, DODECANE, FE (III) ION
著者Chai, J, Guo, G, McSweeney, S, Shanklin, J, Liu, Q.
登録日2022-11-17
公開日2023-04-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural basis for enzymatic terminal C-H bond functionalization of alkanes.
Nat.Struct.Mol.Biol., 30, 2023
6Y8G
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selenomethionine derivative of ferulic acid esterase (FAE)
分子名称: CADMIUM ION, Endo-1,4-beta-xylanase Y, GLYCEROL
著者von Stetten, D, Mueller-Dieckmann, C, Carpentier, P, Flot, D.
登録日2020-03-04
公開日2020-05-20
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam.
J.Synchrotron Radiat., 27, 2020
4YTA
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BU of 4yta by Molmil
BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S.
登録日2015-03-17
公開日2015-05-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
1RKM
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BU of 1rkm by Molmil
STRUCTURE OF OPPA
分子名称: OLIGO-PEPTIDE BINDING PROTEIN
著者Sleigh, S.H, Tame, J.R.H, Wilkinson, A.J.
登録日1997-03-25
公開日1997-07-29
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Peptide binding in OppA, the crystal structures of the periplasmic oligopeptide binding protein in the unliganded form and in complex with lysyllysine.
Biochemistry, 36, 1997

223790

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