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6XUX
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BU of 6xux by Molmil
Crystal structure of Megabody Mb-Nb207-cYgjK_NO
分子名称: CALCIUM ION, Nanobody,Glucosidase YgjK,Glucosidase YgjK,Nanobody
著者Steyaert, J, Uchanski, T, Fischer, B.
登録日2020-01-21
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.90000641 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6XV8
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BU of 6xv8 by Molmil
Crystal structure of Megabody Mb-Nb207-c7HopQ_G10
分子名称: Outer membrane protein
著者Steyaert, J, Uchanski, T, Fischer, B.
登録日2020-01-21
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6QD6
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BU of 6qd6 by Molmil
Molecular scaffolds expand the nanobody toolkit for cryo-EM applications: crystal structure of Mb-cHopQ-Nb207
分子名称: CHLORIDE ION, Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207
著者Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkonig, A, Zogg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
登録日2018-12-31
公開日2019-12-18
最終更新日2021-01-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM
Nat.Methods, 18, 2021
6QFA
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BU of 6qfa by Molmil
CryoEM structure of a beta3K279T GABA(A)R homomer in complex with histamine and megabody Mb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit beta-3, HISTAMINE, ...
著者Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkoening, A, Zoegg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
登録日2019-01-09
公開日2021-08-04
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
3E88
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BU of 3e88 by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8C
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BU of 3e8c by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-11-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E87
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BU of 3e87 by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8D
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BU of 3e8d by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-11-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
6YZ5
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BU of 6yz5 by Molmil
H11-D4 complex with SARS-CoV-2 RBD
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, Le Bas, A.
登録日2020-05-06
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献H11-D4 complex with SARS-CoV-2 RBD
To Be Published
6ZBP
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BU of 6zbp by Molmil
H11-H4 complex with SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H11-H4, SULFATE ION, ...
著者Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, LeBas, A.
登録日2020-06-08
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献H11-D4 complex with SARS-CoV-2 RBD
To Be Published
5OB5
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BU of 5ob5 by Molmil
fAb complex with GroBeta. AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
分子名称: C-X-C motif chemokine 2, GLYCEROL, SULFATE ION, ...
著者Zhao, B, Ward, P, Convery, M.A.
登録日2017-06-26
公開日2017-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery
To Be Published
7RIV
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BU of 7riv by Molmil
human PXR LBD bound to GSK001
分子名称: Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2
著者Williams, S.P, Wisely, G.B, Ward, P.
登録日2021-07-20
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
7RIU
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BU of 7riu by Molmil
human PXR LBD bound to GSK002
分子名称: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide
著者Williams, S.P, Wisely, G.B, Ward, P.
登録日2021-07-20
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
7RIO
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BU of 7rio by Molmil
human PXR LBD bound to GSK003
分子名称: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide
著者Williams, S.P, Wisely, G.B, Ward, P.
登録日2021-07-20
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
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件を2024-05-22に公開中

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