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PDB: 101 件

7JYC
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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
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
7K6D
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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
7K6E
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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
1HZZ
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THE ASYMMETRIC COMPLEX OF THE TWO NUCLEOTIDE-BINDING COMPONENTS (DI, DIII) OF PROTON-TRANSLOCATING TRANSHYDROGENASE
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTON-TRANSLOCATING NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE SUBUNIT PNTAA, ...
著者Cotton, N.P.J, White, S.A, Peake, S.J, McSweeney, S, Jackson, J.B.
登録日2001-01-27
公開日2001-08-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of an asymmetric complex of the two nucleotide binding components of proton-translocating transhydrogenase.
Structure, 9, 2001
4AD8
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Crystal structure of a deletion mutant of Deinococcus radiodurans RecN
分子名称: DNA REPAIR PROTEIN RECN
著者Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J.
登録日2011-12-22
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.998 Å)
主引用文献Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
1I4U
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THE C1 SUBUNIT OF ALPHA-CRUSTACYANIN
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CRUSTACYANIN, SULFATE ION
著者Gordon, E.J, Leonard, G.A, McSweeney, S, Zagalsky, P.F.
登録日2001-02-23
公開日2001-09-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The C1 subunit of alpha-crustacyanin: the de novo phasing of the crystal structure of a 40 kDa homodimeric protein using the anomalous scattering from S atoms combined with direct methods.
Acta Crystallogr.,Sect.D, 57, 2001
4ABY
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Crystal structure of Deinococcus radiodurans RecN head domain
分子名称: DNA REPAIR PROTEIN RECN
著者Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J.
登録日2011-12-12
公開日2012-12-12
最終更新日2012-12-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
4ABX
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Crystal structure of Deinococcus radiodurans RecN coiled-coil domain
分子名称: DNA REPAIR PROTEIN RECN
著者Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J.
登録日2011-12-12
公開日2012-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
4C2T
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Crystal structure of full length Deinococcus radiodurans UvrD in complex with DNA
分子名称: DNA HELICASE II, DNA STRAND FOR28, DNA STRAND REV28, ...
著者Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J.
登録日2013-08-20
公開日2013-10-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.997 Å)
主引用文献Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
4C30
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Crystal structure of Deinococcus radiodurans UvrD in complex with DNA, form 2
分子名称: DNA HELICASE II, DNA STRAND FOR25, DNA STRAND REV25, ...
著者Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J.
登録日2013-08-21
公開日2013-10-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
4C2U
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Crystal structure of Deinococcus radiodurans UvrD in complex with DNA, Form 1
分子名称: DNA HELICASE II, FOR25, GLYCEROL, ...
著者Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J.
登録日2013-08-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
1V0U
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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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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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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
2VF7
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Crystal structure of UvrA2 from Deinococcus radiodurans
分子名称: ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC, SUBUNIT A., ...
著者Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S.
登録日2007-10-31
公開日2008-12-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and mutational analyses of Deinococcus radiodurans UvrA2 provide insight into DNA binding and damage recognition by UvrAs.
Structure, 17, 2009
2VF8
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Crystal structure of UvrA2 from Deinococcus radiodurans
分子名称: ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC SUBUNIT A, PHOSPHATE ION, ...
著者Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S.
登録日2007-10-31
公開日2008-12-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Mutational Analyses of Deinococcus Radiodurans Uvra2 Provide Insight Into DNA Binding and Damage Recognition by Uvras.
Structure, 17, 2009
1O7D
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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
3I2Y
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Proteinase K by Classical hanging drop Method before high X-Ray dose on ID14-2 Beamline at ESRF
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
登録日2009-06-30
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.995 Å)
主引用文献Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To be Published
3I30
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Proteinase K by Classical hanging drop Method after high X-Ray dose on ID14-2 Beamline at ESRF
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
登録日2009-06-30
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.992 Å)
主引用文献Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To be Published
3I34
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BU of 3i34 by Molmil
Proteinase K by LB Nanotemplate Method after high X-Ray dose on ID14-2 Beamline at ESRF
分子名称: CALCIUM ION, MERCURY (II) ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
登録日2009-06-30
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Radiation damage study of Proteinase K at ID14-2 beamline at ESRF
To be Published
3I6J
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BU of 3i6j by Molmil
Ribonuclease A by Classical hanging drop method after high X-Ray dose on ESRF ID14-2 beamline
分子名称: CHLORIDE ION, Ribonuclease pancreatic
著者Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
登録日2009-07-07
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
3I6F
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BU of 3i6f by Molmil
Ribonuclease A by Classical hanging drop method before high X-Ray dose on ESRF ID14-2 beamline
分子名称: CHLORIDE ION, Ribonuclease pancreatic
著者Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
登録日2009-07-07
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
3I67
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BU of 3i67 by Molmil
Ribonuclease A by LB nanotemplate method after high X-Ray dose on ESRF ID14-2 beamline
分子名称: CHLORIDE ION, Ribonuclease pancreatic
著者Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
登録日2009-07-06
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published

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件を2024-08-07に公開中

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