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7F2K
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Crystal structure of PDE4D catalytic domain complexed with compound 17a
分子名称: (~{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, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2021-06-11
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10001969 Å)
主引用文献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
7F2L
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BU of 7f2l by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 18a
分子名称: (~{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, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2021-06-11
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10111427 Å)
主引用文献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
3JTD
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BU of 3jtd by Molmil
Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation
分子名称: MAGNESIUM ION, Myosin essential light chain, striated adductor muscle, ...
著者Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C.
登録日2009-09-11
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
3JVT
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BU of 3jvt by Molmil
Calcium-bound Scallop Myosin Regulatory Domain (Lever Arm) with Reconstituted Complete Light Chains
分子名称: CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ...
著者Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C.
登録日2009-09-17
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
7XMW
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BU of 7xmw by Molmil
Crystal structure of anti-CRISPR protein AcrVIA2
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AcrVIA2, SELENIUM ATOM, ...
著者Yan, X, Li, X, Song, G.
登録日2022-04-27
公開日2023-05-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of AcrVIA2 and its binding mechanism to CRISPR-Cas13a.
Biochem.Biophys.Res.Commun., 612, 2022
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
分子名称: 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
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7F9Y
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BU of 7f9y by Molmil
ghrelin-bound ghrelin receptor in complex with Gq
分子名称: CHOLESTEROL, Engineered G-alpha-q subunit, Ghrelin-28, ...
著者Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y.
登録日2021-07-05
公開日2021-08-18
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor.
Nat Commun, 12, 2021
7F9Z
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BU of 7f9z by Molmil
GHRP-6-bound ghrelin receptor in complex with Gq
分子名称: 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, ...
著者Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y.
登録日2021-07-05
公開日2021-08-18
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor.
Nat Commun, 12, 2021
7XZ5
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BU of 7xz5 by Molmil
GPR119-Gs-LPC complex
分子名称: (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, ...
著者Xu, P, Huang, S, Jiang, Y, Xu, H.E.
登録日2022-06-02
公開日2022-08-24
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
7XZ6
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GPR119-Gs-APD668 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Xu, P, Huang, S, Jiang, Y, Xu, H.E.
登録日2022-06-02
公開日2022-08-24
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
7WQ4
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BU of 7wq4 by Molmil
Galanin-bound galanin receptor 2 in complex with Gq
分子名称: CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Galanin, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
7WQ3
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Galanin-bound galanin receptor 1 in complex with Gi
分子名称: CHOLESTEROL, Galanin, Galanin receptor type 1, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
7XAB
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BU of 7xab by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 22d
分子名称: 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, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2022-03-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.00067449 Å)
主引用文献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
7XAA
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BU of 7xaa by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 21d
分子名称: 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, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2022-03-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.100414 Å)
主引用文献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
7WJ6
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BU of 7wj6 by Molmil
Crystal Structure of the Kinase Domain of a Class III Lanthipeptide Synthetase CurKC
分子名称: MAGNESIUM ION, Serine/threonine protein kinase
著者Huang, S, Wang, H.
登録日2022-01-05
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WJ7
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BU of 7wj7 by Molmil
Crystal Structure of the Kinase Domain with Adenosine of a Class III Lanthipeptide Synthetase CurKC
分子名称: 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Serine/threonine protein kinase
著者Huang, S, Wang, H.
登録日2022-01-05
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7E2P
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BU of 7e2p by Molmil
The Crystal Structure of Mycoplasma bovis enolase
分子名称: Enolase
著者Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Shao, G, Xiong, Q, Feng, Z.
登録日2021-02-07
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases.
Front Mol Biosci, 8, 2022
7E2Q
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BU of 7e2q by Molmil
Crystal structure of Mycoplasma pneumoniae Enolase
分子名称: Enolase, SULFATE ION
著者Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Xiong, Q, Shao, G, Feng, Z.
登録日2021-02-07
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases.
Front Mol Biosci, 8, 2022
7D2G
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BU of 7d2g by Molmil
Coiled-coil structure of liprin-alpha2_H2delC
分子名称: GLYCEROL, Liprin-alpha-2
著者Liang, M, Wei, Z.
登録日2020-09-16
公開日2021-04-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Oligomerized liprin-alpha promotes phase separation of ELKS for compartmentalization of presynaptic active zone proteins.
Cell Rep, 34, 2021
7D2E
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Tetrameric coiled-coil structure of liprin-alpha2_H3
分子名称: Liprin-alpha-2
著者Liang, M, Wei, Z.
登録日2020-09-16
公開日2021-04-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Oligomerized liprin-alpha promotes phase separation of ELKS for compartmentalization of presynaptic active zone proteins.
Cell Rep, 34, 2021
7D2H
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Tetrameric coiled-coil structure of liprin-alpha2_H2
分子名称: GLYCEROL, Liprin-alpha-2
著者Liang, M, Wei, Z.
登録日2020-09-16
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oligomerized liprin-alpha promotes phase separation of ELKS for compartmentalization of presynaptic active zone proteins.
Cell Rep, 34, 2021
7DDX
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Crystal structure of KANK1 S1179F mutant in complex wtih eIF4A1
分子名称: Eukaryotic initiation factor 4A-I, GLYCEROL, KN motif and ankyrin repeat domains 1, ...
著者Pan, W, Xu, Y, Wei, Z.
登録日2020-10-30
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nephrotic-syndrome-associated mutation of KANK2 induces pathologic binding competition with physiological interactor KIF21A.
J.Biol.Chem., 297, 2021

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