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7YHO
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BU of 7yho by Molmil
CryoEM structure of Arabidopsis ROS1 in complex with TG mismatch dsDNA at 3.3 Angstroms resolution
分子名称: DNA (40-MER), IRON/SULFUR CLUSTER, Sex-determining region Y protein,DNA glycosylase/AP lyase ROS1
著者Du, X, Du, J.
登録日2022-07-14
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular basis of the plant ROS1-mediated active DNA demethylation.
Nat.Plants, 9, 2023
7YHP
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BU of 7yhp by Molmil
CryoEM structure of Arabidopsis ROS1 in complex with 5mC-dsDNA at 3.1 Angstroms resolution
分子名称: DNA (40-MER), IRON/SULFUR CLUSTER, Sex-determining region Y protein,REPRESSOR OF SILENCING 1,DNA glycosylase/AP lyase ROS1
著者Du, X, Du, J.
登録日2022-07-14
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of the plant ROS1-mediated active DNA demethylation.
Nat.Plants, 9, 2023
2R3N
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BU of 2r3n by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3G
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BU of 2r3g by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2HXA
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Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH3.5
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2006-08-03
公開日2007-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
2HX9
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BU of 2hx9 by Molmil
Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH4
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2006-08-03
公開日2007-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
2HX7
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BU of 2hx7 by Molmil
Crystal structure of Cu(II) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM"
分子名称: Azurin, COPPER (II) ION
著者Banfield, M.J.
登録日2006-08-03
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
2HX8
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BU of 2hx8 by Molmil
Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH5
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2006-08-03
公開日2007-01-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
2R3J
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BU of 2r3j by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3H
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BU of 2r3h by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3L
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BU of 2r3l by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3O
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BU of 2r3o by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3I
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BU of 2r3i by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3M
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BU of 2r3m by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3F
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BU of 2r3f by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
7WOF
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BU of 7wof by Molmil
SARS-CoV-2 3CLpro
分子名称: (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-21
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WOH
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SARS-CoV-2 3CLpro
分子名称: (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-21
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO1
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BU of 7wo1 by Molmil
Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions
分子名称: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
著者Wang, Y, Ye, S.
登録日2022-01-20
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO3
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SARS-CoV-2 3CLpro
分子名称: (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-20
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO2
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SARS-CoV-2 3CLPro Peptidomimetic Inhibitor TPM5
分子名称: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
著者Wang, Y, Ye, S.
登録日2022-01-20
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7Y8O
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Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
分子名称: 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SciR
著者Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
登録日2022-06-24
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
to be published
3E85
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BU of 3e85 by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea
分子名称: 1,3-DIPHENYLUREA, PR10.2B, SODIUM ION
著者Fernandes, H.C, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
登録日2008-08-19
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein.
Febs J., 276, 2009
1LHZ
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BU of 1lhz by Molmil
Structure of a Human Bence-Jones Dimer Crystallized in U.S. Space Shuttle Mission STS-95: 293K
分子名称: IMMUNOGLOBULIN LAMBDA LIGHT CHAIN
著者Terzyan, S.S, DeWitt, C.R, Ramsland, P.A, Bourne, P.C, Edmundson, A.B.
登録日2002-04-17
公開日2003-07-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparison of the three-dimensional structures of a human Bence-Jones dimer crystallized on Earth and aboard US Space Shuttle Mission STS-95
J.MOL.RECOG., 16, 2003
1LGV
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Structure of a Human Bence-Jones Dimer Crystallized in U.S. Space Shuttle Mission STS-95: 100K
分子名称: IMMUNOGLOBULIN LAMBDA LIGHT CHAIN
著者Terzyan, S.S, DeWitt, C.R, Ramsland, P.A, Bourne, P.C, Edmundson, A.B.
登録日2002-04-16
公開日2003-07-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Comparison of the three-dimensional structures of a human Bence-Jones dimer crystallized on Earth and aboard US Space Shuttle Mission STS-95
J.MOL.RECOG., 16, 2003
1KTW
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IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS
分子名称: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
著者Michel, G, Kahn, R, Dideberg, O.
登録日2002-01-18
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae.
J.Mol.Biol., 334, 2003

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