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8FH4
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Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-13
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FKO
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BU of 8fko by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-21
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FJZ
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BU of 8fjz by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-20
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP1
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PKCeta kinase domain in complex with compound 2
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8TGA
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Complex of NPR1 ectodomain and REGN5381 Fab in an active-like state with no ANP bound
分子名称: Atrial natriuretic peptide receptor 1, REGN5381 Fab heavy chain, REGN5381 Fab light chain
著者Franklin, M.C, Romero Hernandez, A.
登録日2023-07-12
公開日2024-07-17
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Agonist antibody to guanylate cyclase receptor NPR1 regulates vascular tone.
Nature, 633, 2024
8TG9
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Complex of NPR1 ectodomain with ANP plus an allosteric activating antibody, REGN5381
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Atrial natriuretic peptide, ...
著者Franklin, M.C, Romero Hernandez, A.
登録日2023-07-12
公開日2024-07-17
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Agonist antibody to guanylate cyclase receptor NPR1 regulates vascular tone.
Nature, 633, 2024
8FX7
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BU of 8fx7 by Molmil
Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
分子名称: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8FX6
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Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
分子名称: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8UKZ
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BU of 8ukz by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
分子名称: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-10-15
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
分子名称: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hansen, M.H, Cryle, M.J, Zhao, Y.
登録日2023-09-08
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8U2M
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BU of 8u2m by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-09-06
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
分子名称: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
著者Ho, Y.T.C, Izore, T, Cryle, M.J.
登録日2023-02-08
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
分子名称: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
著者Ho, Y.T.C, Izore, T, Cryle, M.J.
登録日2023-02-08
公開日2023-06-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
1OE7
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BU of 1oe7 by Molmil
28kDa glutathione S-transferase from Schistosoma haematobium
分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
著者Johnson, K.A, Angelucci, F, Tsernoglou, D.
登録日2003-03-19
公開日2003-07-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the 28 kDa Glutathione S-Transferase from Schistosoma Haematobium
Biochemistry, 42, 2003
1OE8
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28kDa glutathione S-transferase from Schistosoma haematobium (glutathione saturated)
分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
著者Johnson, K.A, Angelucci, F, Tsernoglou, D.
登録日2003-03-19
公開日2003-07-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of the 28 kDa Glutathione S-Transferase from Schistosoma Haematobium
Biochemistry, 42, 2003
1B4T
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BU of 1b4t by Molmil
H48C YEAST CU(II)/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE
分子名称: CHLORIDE ION, COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ...
著者Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D.
登録日1998-12-23
公開日1999-12-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
2CA8
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BU of 2ca8 by Molmil
Structure of Sh28GST in complex with GSH at pH 6.0
分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE 28 KDA, TETRAETHYLENE GLYCOL
著者Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Miele, A.E, Brunori, M.
登録日2005-12-20
公開日2006-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
2C80
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BU of 2c80 by Molmil
Structure of Sh28GST in complex with S-hexyl Glutathione
分子名称: GLUTATHIONE S-TRANSFERASE 28 KDA, S-HEXYLGLUTATHIONE, TETRAETHYLENE GLYCOL
著者Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Brunori, M, Miele, A.E.
登録日2005-11-30
公開日2006-06-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
2C8U
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BU of 2c8u by Molmil
Structure of R21Q mutant of Sh28GST
分子名称: BETA-MERCAPTOETHANOL, GLUTATHIONE S-TRANSFERASE 28 KDA, SULFATE ION
著者Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Miele, A.E, Brunori, M.
登録日2005-12-07
公開日2006-06-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
2CAI
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BU of 2cai by Molmil
Structure of Glutathione-S-Transferase mutant, R21L, from Schistosoma Haematobium
分子名称: BETA-MERCAPTOETHANOL, GLUTATHIONE S-TRANSFERASE 28 KDA, SULFATE ION, ...
著者Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Brunori, M, Miele, A.E.
登録日2005-12-21
公開日2006-06-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
2CAQ
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Structure of R21L mutant of Sh28GST in complex with GSH
分子名称: BETA-MERCAPTOETHANOL, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE 28 KDA, ...
著者Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Miele, A.E, Brunori, M.
登録日2005-12-22
公開日2006-06-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
2F8F
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BU of 2f8f by Molmil
Crystal structure of the Y10F mutant of the gluathione s-transferase from schistosoma haematobium
分子名称: GLUTATHIONE, Glutathione S-transferase 28 kDa
著者Gourlay, L.J, Baiocco, P, Angelucci, F, Miele, A.E, Bellelli, A, Brunori, M.
登録日2005-12-02
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the Mechanism of GSH Activation in Schistosoma haematobium Glutathione-S-transferase by Site-directed Mutagenesis and X-ray Crystallography.
J.Mol.Biol., 360, 2006
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