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6YOT
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BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
著者Oebbeke, M, Heine, A, Klebe, G.
登録日2020-04-15
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
2AIK
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BU of 2aik by Molmil
Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide LCTPSRA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Roeser, D, Rudolph, M.G.
登録日2005-07-29
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2AIJ
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BU of 2aij by Molmil
Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide CTPSR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Roeser, D, Rudolph, M.G.
登録日2005-07-29
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2AII
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BU of 2aii by Molmil
wild-type Formylglycine generating enzyme reacted with iodoacetamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, CALCIUM ION, ...
著者Roeser, D, Rudolph, M.G.
登録日2005-07-29
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
7AT6
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BU of 7at6 by Molmil
Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane
分子名称: L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ...
著者Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B.
登録日2020-10-29
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
3QO6
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BU of 3qo6 by Molmil
Crystal structure analysis of the plant protease Deg1
分子名称: Protease Do-like 1, chloroplastic, peptide
著者Clausen, T.
登録日2011-02-09
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural adaptation of the plant protease Deg1 to repair photosystem II during light exposure.
Nat.Struct.Mol.Biol., 18, 2011
5LCU
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BU of 5lcu by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCQ
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BU of 5lcq by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.423 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.565 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
2AFT
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BU of 2aft by Molmil
Formylglycine generating enzyme C336S mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1
著者Roeser, D, Rudolph, M.G.
登録日2005-07-26
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
1Y4J
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BU of 1y4j by Molmil
Crystal structure of the paralogue of the human formylglycine generating enzyme
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dickmanns, A, Rudolph, M.G, Ficner, R.
登録日2004-12-01
公開日2005-02-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Crystal Structure of Human pFGE, the Paralog of the C{alpha}-formylglycine-generating Enzyme
J.Biol.Chem., 280, 2005
1Y1E
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BU of 1y1e by Molmil
human formylglycine generating enzyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-alpha-formyglycine-generating enzyme, CALCIUM ION
著者Rudolph, M.G, Dickmanns, A, Ficner, R.
登録日2004-11-18
公開日2005-05-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
1Y1I
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BU of 1y1i by Molmil
hyuman formylglycine generating enzyme, reduced form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-alpha-formyglycine-generating enzyme, CALCIUM ION
著者Rudolph, M.G, Dickmanns, A, Ficner, R.
登録日2004-11-18
公開日2005-05-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
1Y1G
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BU of 1y1g by Molmil
Human formylglycine generating enzyme, double sulfonic acid form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-alpha-formyglycine-generating enzyme, CALCIUM ION
著者Rudolph, M.G, Dickmanns, A, Ficner, R.
登録日2004-11-18
公開日2005-05-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
1Y1F
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BU of 1y1f by Molmil
human formylglycine generating enzyme with cysteine sulfenic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-alpha-formyglycine-generating enzyme, CALCIUM ION
著者Rudolph, M.G, Dickmanns, A, Ficner, R.
登録日2004-11-18
公開日2005-05-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
2AFY
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BU of 2afy by Molmil
Formylglycine generating enzyme C341S mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1
著者Roeser, D, Rudolph, M.G.
登録日2005-07-26
公開日2005-12-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
1Y1H
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BU of 1y1h by Molmil
human formylglycine generating enzyme, oxidised Cys refined as hydroperoxide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-alpha-formyglycine-generating enzyme, HYDROGEN PEROXIDE, ...
著者Rudolph, M.G, Dickmanns, A, Ficner, R.
登録日2004-11-18
公開日2005-05-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
1Y1J
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BU of 1y1j by Molmil
human formylglycine generating enzyme, sulfonic acid/desulfurated form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-alpha-formyglycine-generating enzyme, ...
著者Rudolph, M.G, Dickmanns, A, Ficner, R.
登録日2004-11-18
公開日2005-05-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
6SQ1
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BU of 6sq1 by Molmil
Crystal structure of cAMP-dependent Protein Kinase A (CHO PKA) in complex with Aminofasudil
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, DIMETHYL SULFOXIDE, ...
著者Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
登録日2019-09-03
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A crystallographic study of cAMP-dependent Protein Kinase A in complex with different Fasudil-derivatives
To Be Published
2HI8
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BU of 2hi8 by Molmil
human formylglycine generating enzyme, C336S mutant, bromide co-crystallization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, CALCIUM ION, ...
著者Rudolph, M.G, Roeser, D.
登録日2006-06-29
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Probing the oxygen-binding site of the human formylglycine-generating enzyme using halide ions.
Acta Crystallogr.,Sect.D, 63, 2007
2HIB
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BU of 2hib by Molmil
human formylglycine generating enzyme, C336S mutant, iodide co-crystallization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
著者Rudolph, M.G, Roeser, D.
登録日2006-06-29
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the oxygen-binding site of the human formylglycine-generating enzyme using halide ions.
Acta Crystallogr.,Sect.D, 63, 2007
1JEA
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BU of 1jea by Molmil
ALTERED TOPOLOGY AND FLEXIBILITY IN ENGINEERED SUBTILISIN
分子名称: CALCIUM ION, SUBTILISIN, SULFATE ION
著者Bott, R.
登録日1997-05-20
公開日1997-11-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered Bacillus lentus subtilisins having altered flexibility.
J.Mol.Biol., 292, 1999
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