7F2K
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![BU of 7f2k by Molmil](/molmil-images/mine/7f2k) | Crystal structure of PDE4D catalytic domain complexed with compound 17a | Descriptor: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2021-06-11 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10001969 Å) | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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7F2L
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![BU of 7f2l by Molmil](/molmil-images/mine/7f2l) | Crystal structure of PDE4D catalytic domain complexed with compound 18a | Descriptor: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2021-06-11 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10111427 Å) | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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3JTD
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![BU of 3jtd by Molmil](/molmil-images/mine/3jtd) | Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation | Descriptor: | MAGNESIUM ION, Myosin essential light chain, striated adductor muscle, ... | Authors: | Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C. | Deposit date: | 2009-09-11 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The on-off switch in regulated myosins: different triggers but related mechanisms. J.Mol.Biol., 394, 2009
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3JVT
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![BU of 3jvt by Molmil](/molmil-images/mine/3jvt) | Calcium-bound Scallop Myosin Regulatory Domain (Lever Arm) with Reconstituted Complete Light Chains | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | Authors: | Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C. | Deposit date: | 2009-09-17 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The on-off switch in regulated myosins: different triggers but related mechanisms. J.Mol.Biol., 394, 2009
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7XMW
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![BU of 7xmw by Molmil](/molmil-images/mine/7xmw) | Crystal structure of anti-CRISPR protein AcrVIA2 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AcrVIA2, SELENIUM ATOM, ... | Authors: | Yan, X, Li, X, Song, G. | Deposit date: | 2022-04-27 | Release date: | 2023-05-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of AcrVIA2 and its binding mechanism to CRISPR-Cas13a. Biochem.Biophys.Res.Commun., 612, 2022
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7EN9
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![BU of 7en9 by Molmil](/molmil-images/mine/7en9) | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02 | Descriptor: | 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide | Authors: | Hou, N, Peng, C, Hu, Q. | Deposit date: | 2021-04-16 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
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7END
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![BU of 7end by Molmil](/molmil-images/mine/7end) | |
7EN8
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![BU of 7en8 by Molmil](/molmil-images/mine/7en8) | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | Descriptor: | 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | Authors: | Hou, N, Peng, C, Hu, Q. | Deposit date: | 2021-04-16 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
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7ENE
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![BU of 7ene by Molmil](/molmil-images/mine/7ene) | |
7F9Y
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![BU of 7f9y by Molmil](/molmil-images/mine/7f9y) | ghrelin-bound ghrelin receptor in complex with Gq | Descriptor: | CHOLESTEROL, Engineered G-alpha-q subunit, Ghrelin-28, ... | Authors: | Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y. | Deposit date: | 2021-07-05 | Release date: | 2021-08-18 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor. Nat Commun, 12, 2021
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7F9Z
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![BU of 7f9z by Molmil](/molmil-images/mine/7f9z) | GHRP-6-bound ghrelin receptor in complex with Gq | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Engineered G-alpha-q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y. | Deposit date: | 2021-07-05 | Release date: | 2021-08-18 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor. Nat Commun, 12, 2021
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7XZ5
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![BU of 7xz5 by Molmil](/molmil-images/mine/7xz5) | GPR119-Gs-LPC complex | Descriptor: | (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, 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: | Xu, P, Huang, S, Jiang, Y, Xu, H.E. | Deposit date: | 2022-06-02 | Release date: | 2022-08-24 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119. Nat.Struct.Mol.Biol., 29, 2022
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7XZ6
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![BU of 7xz6 by Molmil](/molmil-images/mine/7xz6) | GPR119-Gs-APD668 complex | 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(s) subunit alpha isoforms short, ... | Authors: | Xu, P, Huang, S, Jiang, Y, Xu, H.E. | Deposit date: | 2022-06-02 | Release date: | 2022-08-24 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119. Nat.Struct.Mol.Biol., 29, 2022
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7WQ4
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![BU of 7wq4 by Molmil](/molmil-images/mine/7wq4) | Galanin-bound galanin receptor 2 in complex with Gq | Descriptor: | CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Galanin, ... | Authors: | Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y. | Deposit date: | 2022-01-24 | Release date: | 2022-04-20 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors Nat Commun, 13, 2022
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7WQ3
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![BU of 7wq3 by Molmil](/molmil-images/mine/7wq3) | Galanin-bound galanin receptor 1 in complex with Gi | Descriptor: | CHOLESTEROL, Galanin, Galanin receptor type 1, ... | Authors: | Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y. | Deposit date: | 2022-01-24 | Release date: | 2022-04-20 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors Nat Commun, 13, 2022
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7XAB
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![BU of 7xab by Molmil](/molmil-images/mine/7xab) | Crystal structure of PDE4D catalytic domain complexed with compound 22d | Descriptor: | 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2022-03-17 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.00067449 Å) | Cite: | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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7XAA
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![BU of 7xaa by Molmil](/molmil-images/mine/7xaa) | Crystal structure of PDE4D catalytic domain complexed with compound 21d | Descriptor: | 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2022-03-17 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.100414 Å) | Cite: | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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7WJ6
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![BU of 7wj6 by Molmil](/molmil-images/mine/7wj6) | |
7WJ7
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![BU of 7wj7 by Molmil](/molmil-images/mine/7wj7) | |
7E2P
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![BU of 7e2p by Molmil](/molmil-images/mine/7e2p) | The Crystal Structure of Mycoplasma bovis enolase | Descriptor: | Enolase | Authors: | Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Shao, G, Xiong, Q, Feng, Z. | Deposit date: | 2021-02-07 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases. Front Mol Biosci, 8, 2022
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7E2Q
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![BU of 7e2q by Molmil](/molmil-images/mine/7e2q) | Crystal structure of Mycoplasma pneumoniae Enolase | Descriptor: | Enolase, SULFATE ION | Authors: | Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Xiong, Q, Shao, G, Feng, Z. | Deposit date: | 2021-02-07 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases. Front Mol Biosci, 8, 2022
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7D2G
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![BU of 7d2g by Molmil](/molmil-images/mine/7d2g) | Coiled-coil structure of liprin-alpha2_H2delC | Descriptor: | GLYCEROL, Liprin-alpha-2 | Authors: | Liang, M, Wei, Z. | Deposit date: | 2020-09-16 | Release date: | 2021-04-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Oligomerized liprin-alpha promotes phase separation of ELKS for compartmentalization of presynaptic active zone proteins. Cell Rep, 34, 2021
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7D2E
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![BU of 7d2e by Molmil](/molmil-images/mine/7d2e) | Tetrameric coiled-coil structure of liprin-alpha2_H3 | Descriptor: | Liprin-alpha-2 | Authors: | Liang, M, Wei, Z. | Deposit date: | 2020-09-16 | Release date: | 2021-04-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Oligomerized liprin-alpha promotes phase separation of ELKS for compartmentalization of presynaptic active zone proteins. Cell Rep, 34, 2021
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7D2H
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![BU of 7d2h by Molmil](/molmil-images/mine/7d2h) | Tetrameric coiled-coil structure of liprin-alpha2_H2 | Descriptor: | GLYCEROL, Liprin-alpha-2 | Authors: | Liang, M, Wei, Z. | Deposit date: | 2020-09-16 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oligomerized liprin-alpha promotes phase separation of ELKS for compartmentalization of presynaptic active zone proteins. Cell Rep, 34, 2021
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7DDX
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![BU of 7ddx by Molmil](/molmil-images/mine/7ddx) | Crystal structure of KANK1 S1179F mutant in complex wtih eIF4A1 | Descriptor: | Eukaryotic initiation factor 4A-I, GLYCEROL, KN motif and ankyrin repeat domains 1, ... | Authors: | Pan, W, Xu, Y, Wei, Z. | Deposit date: | 2020-10-30 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nephrotic-syndrome-associated mutation of KANK2 induces pathologic binding competition with physiological interactor KIF21A. J.Biol.Chem., 297, 2021
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