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6IMN
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BU of 6imn by Molmil
The crystal structure of AsfvLIG:CT2 complex
分子名称: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
8JPC
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BU of 8jpc by Molmil
cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPB
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cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPF
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BU of 8jpf by Molmil
Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPE
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BU of 8jpe by Molmil
Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPD
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BU of 8jpd by Molmil
Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes
分子名称: Beta-adrenergic receptor kinase 1, STAUROSPORINE
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8J6J
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BU of 8j6j by Molmil
Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound with GSK256073
分子名称: 8-chloranyl-3-pentyl-7H-purine-2,6-dione, 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Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X.
登録日2023-04-26
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
8DI4
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Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia
分子名称: 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ...
著者Hayes, R.P, Yan, Y.
登録日2022-06-28
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.016 Å)
主引用文献Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia.
J.Med.Chem., 66, 2023
7TCT
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BU of 7tct by Molmil
Integrin alaphIIBbeta3 complex with UR2922
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2021-12-28
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TD8
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Integrin alaphIIBbeta3 complex with Tirofiban
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2021-12-30
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
8J6L
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BU of 8j6l by Molmil
Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound niacin
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(i) subunit alpha-1, ...
著者Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X.
登録日2023-04-26
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
8J6I
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BU of 8j6i by Molmil
Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound MK-6892
分子名称: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X.
登録日2023-04-26
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
7TPD
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BU of 7tpd by Molmil
Integrin alaphIIBbeta3 complex with EF5154
分子名称: (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-25
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U9V
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BU of 7u9v by Molmil
Integrin alaphIIBbeta3 complex with BMS4-1
分子名称: (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-03-11
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25492167 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7THO
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BU of 7tho by Molmil
Integrin alaphIIBbeta3 complex with Eptifibatide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-11
公開日2022-08-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TMZ
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BU of 7tmz by Molmil
Integrin alaphIIBbeta3 complex with BMS compound 4
分子名称: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-20
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.20002 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U9F
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BU of 7u9f by Molmil
Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+
分子名称: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-10
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.70000529 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U60
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BU of 7u60 by Molmil
Integrin alaphIIBbeta3 complex with cRGDfV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ...
著者Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A.
登録日2022-03-03
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
5ZFZ
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Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
7K7Q
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BU of 7k7q by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
7K7O
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
4X3T
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Crystal structure of chromobox homolog 7 (CBX7) chromodomain with MS37452
分子名称: 1,2-ETHANEDIOL, 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone, Chromobox protein homolog 7, ...
著者Ren, C, Jakoncic, J, Zhou, M.M.
登録日2014-12-01
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
5DH5
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BU of 5dh5 by Molmil
PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
分子名称: MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ...
著者Yan, Y.
登録日2015-08-29
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
5ZFY
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Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018

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