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PDB: 125 件
1VZ2
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, Y73C/V427C/C255T MUTANT
分子名称: GLYCEROL, PROLYL ENDOPEPTIDASE
著者Rea, D, Fulop, V.
登録日2004-05-14
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Concerted Structural Changes in the Peptidase and the Propeller Domains of Prolyl Oligopeptidase are Required for Substrate Binding
J.Mol.Biol., 340, 2004
1VZ3
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, T597C MUTANT
分子名称: GLYCEROL, PROLYL ENDOPEPTIDASE
著者Rea, D, Fulop, V.
登録日2004-05-14
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Concerted Structural Changes in the Peptidase and the Propeller Domains of Prolyl Oligopeptidase are Required for Substrate Binding
J.Mol.Biol., 340, 2004
1H2Z
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH BOUND PEPTIDE LIGAND SUC-GLY-PRO
分子名称: GLYCEROL, GLYCINE, PROLINE, ...
著者Rea, D, Fulop, V.
登録日2002-08-20
公開日2002-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Electrostatic Effects and Binding Determinants in the Catalysis of Prolyl Oligopeptidase: Site Specific Mutagenesis at the Oxyanion Binding Site
J.Biol.Chem., 277, 2002
1H2Y
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, Y473F MUTANT WITH COVALENTLY BOUND INHIBITOR Z-PRO-PROLINAL
分子名称: GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, PROLYL ENDOPEPTIDASE
著者Rea, D, Fulop, V.
登録日2002-08-20
公開日2002-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Electrostatic Effects and Binding Determinants in the Catalysis of Prolyl Oligopeptidase: Site Specific Mutagenesis at the Oxyanion Binding Site
J.Biol.Chem., 277, 2002
2VWT
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BU of 2vwt by Molmil
Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 - Mg-pyruvate product complex
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I.
登録日2008-06-26
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
2V5J
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Apo Class II aldolase HpcH
分子名称: 2,4-DIHYDROXYHEPT-2-ENE-1,7-DIOIC ACID ALDOLASE, GLYCEROL, PHOSPHATE ION
著者Rea, D, Fulop, V, Bugg, T.D.H, Roper, D.I.
登録日2007-07-05
公開日2007-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and Mechanism of Hpch: A Metal Ion Dependent Class II Aldolase from the Homoprotocatechuate Degradation Pathway of Escherichia Coli.
J.Mol.Biol., 373, 2007
2VWS
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BU of 2vws by Molmil
Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12
分子名称: GLYCEROL, PHOSPHATE ION, YFAU, ...
著者Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I.
登録日2008-06-26
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
2V5K
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Class II aldolase HpcH - magnesium - oxamate complex
分子名称: 2,4-DIHYDROXYHEPT-2-ENE-1,7-DIOIC ACID ALDOLASE, MAGNESIUM ION, OXAMIC ACID, ...
著者Rea, D, Fulop, V, Bugg, T.D.H, Roper, D.I.
登録日2007-07-06
公開日2007-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Mechanism of Hpch: A Metal Ion Dependent Class II Aldolase from the Homoprotocatechuate Degradation Pathway of Escherichia Coli.
J.Mol.Biol., 373, 2007
1UOP
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH BOUND PEPTIDE LIGAND GLY-PHE-GLU-PRO
分子名称: GLYCEROL, PEPTIDE LIGAND GLY-PHE-GLU-PRO, PROLYL ENDOPEPTIDASE
著者Rea, D, Fulop, V.
登録日2003-09-22
公開日2003-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Electrostatic Environment at the Active Site of Prolyl Oligopeptidase is Highly Influential During Substrate Binding
J.Biol.Chem., 278, 2003
1UOQ
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH BOUND PEPTIDE LIGAND GLU-PHE-SER-PRO
分子名称: GLYCEROL, PEPTIDE LIGAND GLU-PHE-SER-PRO, PROLYL ENDOPEPTIDASE
著者Rea, D, Fulop, V.
登録日2003-09-22
公開日2003-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Electrostatic Environment at the Active Site of Prolyl Oligopeptidase is Highly Influential During Substrate Binding
J.Biol.Chem., 278, 2003
1UOO
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Prolyl oligopeptidase from porcine brain, S554A mutant with bound peptide ligand GLY-PHE-ARG-PRO
分子名称: GLYCEROL, PEPTIDE LIGAND GLY-PHE-ARG-PRO, PROLYL ENDOPEPTIDASE
著者Rea, D, Fulop, V.
登録日2003-09-22
公開日2003-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Electrostatic Environment at the Active Site of Prolyl Oligopeptidase is Highly Influential During Substrate Binding
J.Biol.Chem., 278, 2003
1O6G
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BU of 1o6g by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, D641N MUTANT WITH BOUND PEPTIDE LIGAND SUC-GLY-PRO
分子名称: GLYCINE, PROLINE, Prolyl endopeptidase, ...
著者Rea, D, Fulop, V.
登録日2002-09-15
公開日2002-11-18
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Substrate-dependent competency of the catalytic triad of prolyl oligopeptidase.
J. Biol. Chem., 277, 2002
1O6F
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, D641A MUTANT WITH BOUND PEPTIDE LIGAND SUC-GLY-PRO
分子名称: GLYCEROL, GLYCINE, PROLINE, ...
著者Rea, D, Fulop, V.
登録日2002-09-15
公開日2002-11-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate-dependent competency of the catalytic triad of prolyl oligopeptidase.
J. Biol. Chem., 277, 2002
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
分子名称: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO3
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO1
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
7AEM
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Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
分子名称: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2020-09-17
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
7AEI
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Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
分子名称: 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2020-09-17
公開日2021-06-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
8PO2
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
1M1F
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BU of 1m1f by Molmil
Kid toxin protein from E.coli plasmid R1
分子名称: Kid toxin protein, PHOSPHATE ION
著者Hargreaves, D, Santos-Sierra, S, Giraldo, R, Sabariegos-Jareno, R, de la Cueva-Mendez, G, Boelens, R, Diaz-Orejas, R, Rafferty, J.B.
登録日2002-06-19
公開日2002-11-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and Functional Analysis of the Kid toxin protein from E.coli plasmid R1
Structure, 10, 2002
9FKZ
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BU of 9fkz by Molmil
Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors
分子名称: Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide
著者Hargreaves, D.
登録日2024-06-04
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 67, 2024
9FKY
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Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors
分子名称: Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-[3-cyano-4-(trifluoromethyl)phenyl]ethyl]propanamide
著者Hargreaves, D.
登録日2024-06-04
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.557 Å)
主引用文献Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 67, 2024
9FL0
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Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors
分子名称: Bcl-2-related protein A1, ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide
著者Hargreaves, D.
登録日2024-06-04
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 67, 2024

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