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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
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
2V5K
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BU of 2v5k by Molmil
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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BU of 2v5j by Molmil
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
8AV9
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BU of 8av9 by Molmil
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1
分子名称: (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2022-08-26
公開日2023-05-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1.
Proc.Natl.Acad.Sci.USA, 120, 2023
6EHV
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BU of 6ehv 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2019-10-16
実験手法X-RAY DIFFRACTION (2.54 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
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2019-10-16
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
6EHY
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BU of 6ehy 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 antibody fragment
著者Hargreaves, D.
登録日2017-09-15
公開日2017-11-08
最終更新日2019-10-16
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
6EHW
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BU of 6ehw 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2024-10-16
実験手法X-RAY DIFFRACTION (2.19 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
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
2A40
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BU of 2a40 by Molmil
Ternary complex of the WH2 domain of WAVE with Actin-DNAse I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Chereau, D, Kerff, F, Dominguez, R.
登録日2005-06-27
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A3Z
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BU of 2a3z by Molmil
Ternary complex of the WH2 domain of WASP with Actin-DNAse I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Chereau, D, Kerff, F, Dominguez, R.
登録日2005-06-27
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.078 Å)
主引用文献Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A42
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BU of 2a42 by Molmil
Actin-DNAse I Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Chereau, D, Kerff, F, Dominguez, R.
登録日2005-06-27
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A41
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BU of 2a41 by Molmil
Ternary complex of the WH2 Domain of WIP with Actin-DNAse I
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Chereau, D, Kerff, F, Dominguez, R.
登録日2005-06-27
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005
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
1VZ2
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BU of 1vz2 by Molmil
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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BU of 1vz3 by Molmil
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
1UOO
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BU of 1uoo by Molmil
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
1UOP
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BU of 1uop by Molmil
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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BU of 1uoq by Molmil
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
7AEM
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BU of 7aem by Molmil
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
6QB6
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BU of 6qb6 by Molmil
Mcl1 in complex with a Fab
分子名称: Fab Heavy Chain, Fab Light Chain, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QB4
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Mcl1-scFv complex with an indole acid inhibitor
分子名称: 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QB9
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Structure of an anti-Mcl1 scFv
分子名称: L(+)-TARTARIC ACID, scFv55
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019

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