6IMN
 
 | | The crystal structure of AsfvLIG:CT2 complex | | Descriptor: | 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'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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8JPC
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2 | | Descriptor: | 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, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPB
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1 | | Descriptor: | 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, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPF
 | | Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1 | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPE
 | | Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPD
 | | Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | Beta-adrenergic receptor kinase 1, STAUROSPORINE | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8J6J
 | | Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound with GSK256073 | | Descriptor: | 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, ... | | Authors: | Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X. | | Deposit date: | 2023-04-26 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
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8DI4
 | | Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia | | Descriptor: | 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, ... | | Authors: | Hayes, R.P, Yan, Y. | | Deposit date: | 2022-06-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.016 Å) | | Cite: | Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia.
J.Med.Chem., 66, 2023
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7TCT
 | | Integrin alaphIIBbeta3 complex with UR2922 | | Descriptor: | 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, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2021-12-28 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TD8
 | | Integrin alaphIIBbeta3 complex with Tirofiban | | Descriptor: | 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, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2021-12-30 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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8J6L
 | | Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound niacin | | Descriptor: | 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, ... | | Authors: | Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X. | | Deposit date: | 2023-04-26 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
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8J6I
 | | Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound MK-6892 | | Descriptor: | 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, ... | | Authors: | Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X. | | Deposit date: | 2023-04-26 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
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7TPD
 | | Integrin alaphIIBbeta3 complex with EF5154 | | Descriptor: | (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, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U9V
 | | Integrin alaphIIBbeta3 complex with BMS4-1 | | Descriptor: | (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, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25492167 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7THO
 | | Integrin alaphIIBbeta3 complex with Eptifibatide | | Descriptor: | 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, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TMZ
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 | | Descriptor: | (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, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.20002 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U9F
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ | | Descriptor: | (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, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.70000529 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U60
 | | Integrin alaphIIBbeta3 complex with cRGDfV | | Descriptor: | 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, ... | | Authors: | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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5ZFZ
 | | Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant | | Descriptor: | 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 | | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | | Deposit date: | 2018-03-07 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
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7K7Q
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7K7O
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4X3T
 | | Crystal structure of chromobox homolog 7 (CBX7) chromodomain with MS37452 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone, Chromobox protein homolog 7, ... | | Authors: | Ren, C, Jakoncic, J, Zhou, M.M. | | Deposit date: | 2014-12-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
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5DH5
 | | PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine | | Descriptor: | 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, ... | | Authors: | Yan, Y. | | Deposit date: | 2015-08-29 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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6IMK
 | | The crystal structure of AsfvLIG:CG complex | | Descriptor: | 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'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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5ZFY
 | | Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant | | Descriptor: | 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 | | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | | Deposit date: | 2018-03-07 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
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