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5QNY
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BU of 5qny by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_24)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QOF
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BU of 5qof by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_8)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QND
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BU of 5qnd by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H7_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QNT
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BU of 5qnt by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QO9
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BU of 5qo9 by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_4)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
1GPB
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BU of 1gpb by Molmil
GLYCOGEN PHOSPHORYLASE B: DESCRIPTION OF THE PROTEIN STRUCTURE
分子名称: GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
著者Johnson, L.N, Acharya, K.R, Stuart, D.I.
登録日1990-06-04
公開日1992-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Glycogen Phosphorylase B: Description of the Protein Structure
Glycogen Phosphorylase B: Description of the Protein Structure, 1991
1GPA
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BU of 1gpa by Molmil
STRUCTURAL MECHANISM FOR GLYCOGEN PHOSPHORYLASE CONTROL BY PHOSPHORYLATION AND AMP
分子名称: GLYCOGEN PHOSPHORYLASE A, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Barford, D, Hu, S.-H, Johnson, L.N.
登録日1990-11-13
公開日1992-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP.
J.Mol.Biol., 218, 1991
7GPB
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BU of 7gpb by Molmil
STRUCTURAL MECHANISM FOR GLYCOGEN PHOSPHORYLASE CONTROL BY PHOSPHORYLATION AND AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE, ...
著者Barford, D, Hu, S.-H, Johnson, L.N.
登録日1990-11-13
公開日1992-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP.
J.Mol.Biol., 218, 1991
1A8I
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BU of 1a8i by Molmil
SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE
分子名称: BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, GLYCOGEN PHOSPHORYLASE B
著者Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N.
登録日1998-03-25
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
Protein Sci., 7, 1998
1B4D
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BU of 1b4d by Molmil
AMIDOCARBAMATE INHIBITOR OF GLYCOGEN PHOSPHORYLASE
分子名称: 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE B), ...
著者Tsitsanou, K.E, Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Gregoriou, M, Watson, K.A, Johnson, L.N, Fleet, G.W.J.
登録日1998-12-18
公開日1998-12-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of commonly used cryoprotectants on glycogen phosphorylase activity and structure.
Protein Sci., 8, 1999
4DM3
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BU of 4dm3 by Molmil
Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole
分子名称: IMIDAZOLE, Phenylethanolamine N-methyltransferase, RESORCINOL, ...
著者Nair, P.C, Malde, A.K, Mark, A.E.
登録日2012-02-06
公開日2012-04-25
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4001 Å)
主引用文献Missing fragments: detecting cooperative binding in fragment-based drug design.
ACS Med Chem Lett, 3, 2012
7S1C
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BU of 7s1c by Molmil
Crystal structure of E.coli DsbA in complex with compound MIPS-0001897 (compound 1)
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine
著者Heras, B, Scanlon, M.J, Martin, J.L, Sharma, P.
登録日2021-09-02
公開日2023-02-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
7S1F
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BU of 7s1f by Molmil
Crystal structure of E.coli DsbA in complex with compound MIPS-0001886 (compound 38)
分子名称: 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one, COPPER (II) ION, GLYCEROL, ...
著者Heras, B, Scanlon, M.J, Martin, J.L, Caria, S.
登録日2021-09-02
公開日2023-02-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
7S1D
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BU of 7s1d by Molmil
Crystal structure of E.coli DsbA in complex with compound MIPS-0001877 (compound 39)
分子名称: 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Heras, B, Scanlon, M.J, Martin, J.L, Caria, S.
登録日2021-09-02
公開日2023-02-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
7S1L
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BU of 7s1l by Molmil
Crystal structure of E.coli DsbA in complex with compound MIPS-0001896 (compound 72)
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate
著者Heras, B, Scanlon, M.J, Martin, J.L, Caria, S.
登録日2021-09-02
公開日2023-02-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.623 Å)
主引用文献Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022

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