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PDB: 30 件
4ZSA
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BU of 4zsa by Molmil
Crystal structure of FGFR1 kinase domain in complex with 7n
分子名称: 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide, Fibroblast growth factor receptor 1
著者Liu, Q.F, Xu, Y.C.
登録日2015-05-13
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and biological evaluation of novel FGFR inhibitors bearing an indazole scaffold.
Org.Biomol.Chem., 13, 2015
4GG5
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BU of 4gg5 by Molmil
Crystal structure of CMET in complex with novel inhibitor
分子名称: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-05
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.423 Å)
主引用文献Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4GG7
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BU of 4gg7 by Molmil
Crystal structure of cMET in complex with novel inhibitor
分子名称: Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-06
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4HHY
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BU of 4hhy by Molmil
Crystal structure of PARP catalytic domain in complex with novel inhibitors
分子名称: (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, DI(HYDROXYETHYL)ETHER, Poly [ADP-ribose] polymerase 1, ...
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-10-10
公開日2013-03-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3637 Å)
主引用文献Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
4HHZ
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BU of 4hhz by Molmil
Crystal structure of PARP catalytic domain in complex with novel inhibitors
分子名称: N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-10-10
公開日2013-03-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7199 Å)
主引用文献Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
5I8P
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BU of 5i8p by Molmil
Crystal structure of LP_PLA2 in complex with novel inhibitor
分子名称: 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one, Platelet-activating factor acetylhydrolase
著者Liu, Q.F, Xu, Y.C.
登録日2016-02-19
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors
J.Med.Chem., 59, 2016
5I9I
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Crystal structure of LP_PLA2 in complex with Darapladib
分子名称: N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide, Platelet-activating factor acetylhydrolase, SULFATE ION
著者Liu, Q.F, Xu, Y.C.
登録日2016-02-20
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors
J.Med.Chem., 59, 2016
4NNT
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BU of 4nnt by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
分子名称: 2,4,6-tri(propan-2-yl)benzoic acid, Fatty acid-binding protein, adipocyte
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2013-11-19
公開日2014-11-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The complex structure of FABP4 with novel inhibitors
To be Published
4NNS
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Crystal structure of FABP4 in complex with novel inhibitor
分子名称: 2,4,6-tri(propan-2-yl)benzenesulfonic acid, Fatty acid-binding protein, adipocyte
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2013-11-19
公開日2014-11-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The complex structure of FABP4 with novel inhibitors
To be Published
7D9P
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BU of 7d9p by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12
分子名称: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9O
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Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
分子名称: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9Q
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BU of 7d9q by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7
分子名称: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
4MXC
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BU of 4mxc by Molmil
Crystal structure of CMET in complex with novel inhibitor
分子名称: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2013-09-26
公開日2014-10-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.632 Å)
主引用文献Discovery of Anilinopyrimidines as Dual Inhibitors of c-Met and VEGFR-2: Synthesis, SAR, and Cellular Activity
ACS MED.CHEM.LETT., 5, 2014
5YE9
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BU of 5ye9 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
分子名称: N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
著者Liu, Q.F, Xu, Y.C.
登録日2017-09-15
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.876 Å)
主引用文献Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YE7
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BU of 5ye7 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
分子名称: N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
著者Liu, Q.F, Xu, Y.C.
登録日2017-09-15
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YE8
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BU of 5ye8 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
分子名称: N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide, Platelet-activating factor acetylhydrolase
著者Liu, Q.F, Xu, Y.C.
登録日2017-09-15
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YEA
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BU of 5yea by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
分子名称: 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid, Platelet-activating factor acetylhydrolase, SULFATE ION
著者Liu, Q.F, Xu, Y.C.
登録日2017-09-15
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
7EZK
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BU of 7ezk by Molmil
Cryo-EM structure of an activated Cholecystokinin A receptor (CCKAR)-Gs complex
分子名称: Chimera of Guanine nucleotide-binding protein G(i) subunit alpha-1 and Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Cholecystokinin receptor type A, Cholecystokinin-8, ...
著者Liu, Q.F, Yang, D.H, Zhuang, Y.W, Croll, T.I, Cai, X.Q, Duan, J, Dai, A.T, Yin, W.C, Ye, C.Y, Zhou, F.L, Wu, B.L, Zhao, Q, Xu, H.E, Wang, M.W, Jiang, Y.
登録日2021-06-01
公開日2021-08-25
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ligand recognition and G-protein coupling selectivity of cholecystokinin A receptor
Nat.Chem.Biol., 17, 2021
7EZM
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BU of 7ezm by Molmil
Cryo-EM structure of an activated Cholecystokinin A receptor (CCKAR)-Gq complex
分子名称: Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, Q.F, Yang, D.H, Zhuang, Y.W, Croll, T.I, Cai, X.Q, Duan, J, Dai, A.T, Yin, W.C, Ye, C.Y, Zhou, F.L, Wu, B.L, Zhao, Q, Xu, H.E, Wang, M.W, Jiang, Y.
登録日2021-06-01
公開日2021-08-25
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Ligand recognition and G-protein coupling selectivity of cholecystokinin A receptor
Nat.Chem.Biol., 17, 2021
7EZH
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BU of 7ezh by Molmil
Cryo-EM structure of an activated Cholecystokinin A receptor (CCKAR)-Gi complex
分子名称: Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, Q.F, Yang, D.H, Zhuang, Y.W, Croll, T.I, Cai, X.Q, Duan, J, Dai, A.T, Yin, W.C, Ye, C.Y, Zhou, F.L, Wu, B.L, Zhao, Q, Xu, H.E, Wang, M.W, Jiang, Y.
登録日2021-06-01
公開日2021-08-25
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Ligand recognition and G-protein coupling selectivity of cholecystokinin A receptor
Nat.Chem.Biol., 17, 2021
5HTI
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BU of 5hti by Molmil
Crystal structure of c-Met kinase domain in complex with LXM108
分子名称: Hepatocyte growth factor receptor, N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Liu, Q.F, Xu, Y.C.
登録日2016-01-26
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of c-Met kinase domain in complex with LXM108
to be published
7V9M
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BU of 7v9m by Molmil
Cryo-EM structure of the GHRH-bound human GHRHR splice variant 1 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Chen, X, Yang, D.H, Wang, M.W.
登録日2021-08-26
公開日2021-10-20
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7V3R
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BU of 7v3r by Molmil
Crystal structure of CMET in complex with a novel inhibitor
分子名称: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
登録日2021-08-11
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
7V3S
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BU of 7v3s by Molmil
Crystal structure of CMET in complex with a novel inhibitor
分子名称: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
登録日2021-08-11
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
7V9L
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BU of 7v9l by Molmil
Cryo-EM structure of the SV1-Gs complex.
分子名称: GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W.
登録日2021-08-26
公開日2022-04-06
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021

 

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