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PDB: 118 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
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
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
2VWT
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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
2VWS
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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
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
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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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
4N8M
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Structural polymorphism in the N-terminal oligomerization domain of NPM1
分子名称: COBALT (II) ION, Nucleophosmin
著者Mitrea, D, Royappa, G, Buljan, M, Yun, M, Pytel, N, Satumba, J, Nourse, A, Park, C, Babu, M.M, White, S.W, Kriwacki, R.W.
登録日2013-10-17
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structural polymorphism in the N-terminal oligomerization domain of NPM1.
Proc.Natl.Acad.Sci.USA, 111, 2014
6EHX
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BU of 6ehx by Molmil
scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
分子名称: scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
著者Hargreaves, D.
登録日2017-09-15
公開日2017-11-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
To Be Published
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
6EHY
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scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
分子名称: scFv antibody fragment
著者Hargreaves, D.
登録日2017-09-15
公開日2017-11-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
To Be Published
5N7W
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BU of 5n7w by Molmil
Computationally designed functional antibody
分子名称: Antibody Fragment Heavy Chain, Antibody Fragment Light Chain, Interleukin-17A
著者Hargreaves, D, Breed, J.
登録日2017-02-21
公開日2018-11-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Computational Design of Epitope-Specific Functional Antibodies.
Cell Rep, 25, 2018
1BDX
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BU of 1bdx by Molmil
E. COLI DNA HELICASE RUVA WITH BOUND DNA HOLLIDAY JUNCTION, ALPHA CARBONS AND PHOSPHATE ATOMS ONLY
分子名称: DNA (5'-D(P*GP*CP*AP*TP*GP*CP*AP*TP*AP*TP*GP*CP*AP*TP*GP*C)-3'), HOLLIDAY JUNCTION DNA HELICASE RUVA
著者Hargreaves, D, Rice, D.W, Sedelnikova, S.E, Artymiuk, P.J, Lloyd, R.G, Rafferty, J.B.
登録日1998-05-11
公開日1999-11-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystal structure of E.coli RuvA with bound DNA Holliday junction at 6 A resolution.
Nat.Struct.Biol., 5, 1998
4A7B
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BU of 4a7b by Molmil
MMP13 IN COMPLEX WITH A NOVEL SELECTIVE NON ZINC BINDING INHIBITOR CMPD22
分子名称: ACETOHYDROXAMIC ACID, CALCIUM ION, COLLAGENASE 3, ...
著者Hargreaves, D, Gerhardt, S.
登録日2011-11-11
公開日2011-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lead Optimisation of Selective Non-Zinc Binding Inhibitors of Mmp13. Part 2.
Bioorg.Med.Chem.Lett., 22, 2012
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
分子名称: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
分子名称: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
8RPO
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BFL1 in complex with a reversible covalent ligand
分子名称: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
著者Hargreaves, D.
登録日2024-01-16
公開日2024-07-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
8PO0
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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

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