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5CXH
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BU of 5cxh by Molmil
SYK catalytic domain complexed with a potent orally bioavailable thiazole inhibitor
分子名称: (4R)-4-[(1R)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2015-07-29
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
4PX6
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BU of 4px6 by Molmil
SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor
分子名称: 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2014-03-21
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Syk inhibitors with high potency in presence of blood.
Bioorg.Med.Chem.Lett., 24, 2014
4RX8
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BU of 4rx8 by Molmil
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2
分子名称: 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2014-12-09
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4RX9
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BU of 4rx9 by Molmil
SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2014-12-09
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4RX7
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BU of 4rx7 by Molmil
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor
分子名称: 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide, FORMIC ACID, GLYCEROL, ...
著者Lee, C.C.
登録日2014-12-09
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
6G05
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BU of 6g05 by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A
分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2018-03-16
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
6G3C
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BU of 6g3c by Molmil
Crystal Structure of JAK2-V617F pseudokinase domain in complex with Compound 2
分子名称: 1,2-ETHANEDIOL, 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one, Tyrosine-protein kinase
著者Dekker, C, Hinniger, A.
登録日2018-03-24
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
Acs Chem.Biol., 14, 2019
6FZU
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BU of 6fzu by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH THE FRAGMENT ("CPD-1") AND RIP140 PEPTIDE AT 1.80A
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
著者Kallen, J.
登録日2018-03-15
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
6G07
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BU of 6g07 by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
著者Kallen, J.
登録日2018-03-16
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
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