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4IFN
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BU of 4ifn by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
分子名称: (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, kelch-like ECH-associated protein 1
著者Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
登録日2012-12-14
公開日2013-12-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
4IFJ
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Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
分子名称: Kelch-like ECH-associated protein 1
著者Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
登録日2012-12-14
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
To be Published
4IFL
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BU of 4ifl by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
分子名称: Nrf2 peptide, kelch-like ECH-associated protein 1
著者Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
登録日2012-12-14
公開日2013-12-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
4I5M
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BU of 4i5m by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2
著者Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
7KQY
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BU of 7kqy by Molmil
Crystal Structure and Characterization of Human Heavy-Chain only Antibodies reveals a novel, stable dimeric structure similar to Monoclonal Antibodies
分子名称: Heavy-Chain only Human Antibodies
著者Bahmanjah, S, Mieczkowski, C, Yu, Y, Baker, J, Raghunathan, G, Tomazela, D, Hsieh, M, Mccoy, M, Strickland, C, Fayadat-Dilman, L.
登録日2020-11-18
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Crystal Structure and Characterization of Human Heavy-Chain Only Antibodies Reveals a Novel, Stable Dimeric Structure Similar to Monoclonal Antibodies.
Antibodies, 9, 2020
4I1F
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Structure of Parkin-S223P E3 ligase
分子名称: BARIUM ION, E3 ubiquitin-protein ligase parkin, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-20
公開日2013-06-19
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
4Y73
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Crystal structure of IRAK4 kinase domain with inhibitor
分子名称: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Lesburg, C.A.
登録日2015-02-13
公開日2015-05-20
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Acs Med.Chem.Lett., 6, 2015
7P1E
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BU of 7p1e by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2,3-difluoro-2-keto-3-deoxynononic acid
分子名称: (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1S
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Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
分子名称: 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1F
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BU of 7p1f by Molmil
Structure of KDNase from Aspergillus terrerus in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
分子名称: 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, GLYCEROL, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1B
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Apo structure of KDNase from Aspergillus Terrerus
分子名称: Sialidase domain-containing protein
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1O
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BU of 7p1o by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2-keto-3-deoxynononic acid
分子名称: CHLORIDE ION, GLYCEROL, Sialidase domain-containing protein, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1U
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Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid
分子名称: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1Q
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Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid
分子名称: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1R
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BU of 7p1r by Molmil
Structure of Trichophyton Rubrum KDNase in complex with 2,3-difluoro-KDN
分子名称: 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, Extracellular sialidase/neuraminidase, PHOSPHATE ION, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1D
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BU of 7p1d by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2-keto-3-deoxynononic acid
分子名称: CALCIUM ION, Sialidase domain-containing protein, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1V
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Apo structure of KDNase from Trichophyton Rubrum
分子名称: CALCIUM ION, Extracellular sialidase/neuraminidase, GLYCEROL
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
5A8E
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thermostabilised beta1-adrenoceptor with rationally designed inverse agonist 7-methylcyanopindolol bound
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile, ...
著者Sato, T, Baker, J.G, Warne, T, Brown, G.A, Congreve, M, Leslie, A.G.W, Tate, C.G.
登録日2015-07-15
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacological Analysis and Structure Determination of 7-Methylcyanopindolol-Bound Beta1-Adrenergic Receptor.
Mol.Pharmacol., 88, 2015
5T1T
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Irak4 kinase - compound 1 co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
著者Fischmann, T.O.
登録日2016-08-22
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1S
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Irak4 kinase - compound 1 co-structure
分子名称: 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2016-08-22
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
4I6H
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Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
Chemmedchem, 8, 2013
4I5P
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Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.738 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I6B
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Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I6F
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Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
8DS5
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X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
分子名称: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
著者Fischmann, T.O.
登録日2022-07-21
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022

 

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