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2MMP
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BU of 2mmp by Molmil
Solution structure of a ribosomal protein
分子名称: Uncharacterized protein
著者Feng, Y.
登録日2014-03-17
公開日2014-06-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure determination of archaea-specific ribosomal protein L46a reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 450, 2014
2Q8O
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BU of 2q8o by Molmil
crystal structure of mouse GITR ligand dimer
分子名称: GITR ligand
著者Zhaocai, Z, Yukiko, T.
登録日2007-06-11
公開日2007-12-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for ligand-mediated mouse GITR activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7WCX
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BU of 7wcx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 7v
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
著者Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
登録日2021-12-20
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.175 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
7WCT
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BU of 7wct by Molmil
Crystal structure of FGFR4 kinase domain with 7v
分子名称: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
著者Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
登録日2021-12-20
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
8XB1
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BU of 8xb1 by Molmil
Crystal structure of FLT3 in complex with a Pyrazinamide Macrocycle derivative
分子名称: 3^3-ethyl-5^4-morpholino-6,9-dioxa-2,4-diaza-3(2,6)-pyrazina-1(4,1)-piperidina-5(1,3)-benzenacycloundecaphane-3^5-carboxamide, Receptor-type tyrosine-protein kinase FLT3
著者Guo, M, Chen, Y.
登録日2023-12-05
公開日2024-12-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-Based Optimization of Pyrazinamide-Containing Macrocyclic Derivatives as Fms-like Tyrosine Kinase 3 (FLT3) Inhibitors to Overcome Clinical Mutations.
Acs Pharmacol Transl Sci, 7, 2024
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
分子名称: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
著者Gao, M, Cai, W.
登録日2017-11-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
7DTZ
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BU of 7dtz by Molmil
FGFR4 complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
著者Chen, X.J, Dai, S.Y, Chen, Y.H.
登録日2021-01-07
公開日2021-04-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
著者Gao, M, Cai, W, Chunwa, C.
登録日2017-11-01
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
8XZ7
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BU of 8xz7 by Molmil
FGFR1 kinase domain with a covalent inhibitor 10h
分子名称: 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2024-01-20
公開日2024-06-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
7WCW
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BU of 7wcw by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 7v
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
著者Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
登録日2021-12-20
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.317 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
6NFX
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BU of 6nfx by Molmil
MBTD1 MBT repeats
分子名称: GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ...
著者Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-12-21
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex.
Cell Rep, 30, 2020
8Y22
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BU of 8y22 by Molmil
FGFR1 kinase domain with a covalent inhibitor 9g
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide
著者Chen, X.J, Chen, Y.H.
登録日2024-01-25
公開日2024-06-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.792 Å)
主引用文献Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7YBO
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BU of 7ybo by Molmil
Crystal structure of FGFR4 kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC3
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BU of 7yc3 by Molmil
Crystal structure of FGFR4 kinase domain with 10t
分子名称: 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC1
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BU of 7yc1 by Molmil
Crystal structure of FGFR4 kinase domain with 10d
分子名称: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBP
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BU of 7ybp by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBX
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BU of 7ybx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7Y4T
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BU of 7y4t by Molmil
Crystal structure of cMET kinase domain bound by compound 9I
分子名称: 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor
著者Qu, L.Z, Chen, Y.H.
登録日2022-06-16
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7Y4U
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BU of 7y4u by Molmil
Crystal structure of cMET kinase domain bound by compound 9Y
分子名称: Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
著者Qu, L.Z, Chen, Y.H.
登録日2022-06-16
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
8KH5
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BU of 8kh5 by Molmil
Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS
分子名称: CHOLESTEROL, 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Nie, Y, Qiu, Z, Zheng, S, Chen, S.
登録日2023-08-21
公開日2023-10-18
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
8KGK
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BU of 8kgk by Molmil
Cryo-EM structure of the GPR61-Gs complex
分子名称: G-protein coupled receptor 61, 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Nie, Y, Qiu, Z, Zheng, S.
登録日2023-08-19
公開日2023-10-11
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023

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