4DHS
 
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | 分子名称: | (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | | 著者 | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | 登録日 | 2012-01-30 | | 公開日 | 2013-07-31 | | 最終更新日 | 2013-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4UVC
 | | LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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4UVA
 | | LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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4WSQ
 | | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, K-252A, ... | | 著者 | Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Abdul, K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-10-28 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
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2F6I
 | | Crystal structure of the ClpP protease catalytic domain from Plasmodium falciparum | | 分子名称: | ATP-dependent CLP protease, putative | | 著者 | Mulichak, A, Loppnau, P, Bray, J, Amani, M, Vedadi, M, Wasney, G, Finerty, P, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Hui, R, Plotnikova, O, Structural Genomics Consortium (SGC) | | 登録日 | 2005-11-29 | | 公開日 | 2005-12-20 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The Clp chaperones and proteases of the human malaria parasite Plasmodium falciparum.
J.Mol.Biol., 404, 2010
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5YQZ
 | | Structure of the glucagon receptor in complex with a glucagon analogue | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ... | | 著者 | Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B. | | 登録日 | 2017-11-08 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
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5Z2H
 | | Structure of Dictyostelium discoideum mitochondrial calcium uniporter N-terminal domain(DdMCU-NTD) | | 分子名称: | Dictyostelium discoideum mitochondrial calcium uniporter | | 著者 | Yuan, Y, Wen, M, Chou, J.J, Li, D, Bo, O. | | 登録日 | 2018-01-02 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.674 Å) | | 主引用文献 | Structural Characterization of the N-Terminal Domain of theDictyostelium discoideumMitochondrial Calcium Uniporter.
Acs Omega, 5, 2020
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6AQ6
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5Z2I
 | | Structure of Dictyostelium discoideum mitochondrial calcium uniporter N-ternimal domain (Se-DdMCU-NTD) | | 分子名称: | Dictyostelium discoideum mitochondrial calcium uniporter | | 著者 | Yuan, Y, Wen, M, Chou, J, Li, D, Bo, O. | | 登録日 | 2018-01-02 | | 公開日 | 2019-01-02 | | 最終更新日 | 2020-07-15 | | 実験手法 | X-RAY DIFFRACTION (2.141 Å) | | 主引用文献 | Structural Characterization of the N-Terminal Domain of theDictyostelium discoideumMitochondrial Calcium Uniporter.
Acs Omega, 5, 2020
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5TNC
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3D7C
 | | Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2 | | 分子名称: | General control of amino acid synthesis protein 5-like 2 | | 著者 | Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-05-21 | | 公開日 | 2008-07-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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3DAI
 | | Crystal structure of the bromodomain of the human ATAD2 | | 分子名称: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION | | 著者 | Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Roos, A.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-05-29 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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8UWL
 | | 5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | | 分子名称: | 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | | 登録日 | 2023-11-06 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
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3DM8
 | | Crystal Structure of Putative Isomerase from Rhodopseudomonas palustris | | 分子名称: | DODECYL NONA ETHYLENE GLYCOL ETHER, uncharacterized protein RPA4348 | | 著者 | Cymborowski, M, Chruszcz, M, Skarina, T, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2008-06-30 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Putative Isomerase from Rhodopseudomonas palustris
To be Published
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3DWY
 | | Crystal Structure of the Bromodomain of Human CREBBP | | 分子名称: | 1,2-ETHANEDIOL, CREB-binding protein | | 著者 | Filippakopoulos, P, Picaud, S, Fedorov, O, Karim, R, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-07-23 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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6VX6
 | | bestrophin-2 Ca2+-bound state (250 nM Ca2+) | | 分子名称: | Bestrophin, CALCIUM ION, CHLORIDE ION | | 著者 | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | | 登録日 | 2020-02-21 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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7VPA
 | | Crystal structure of Ple629 from marine microbial consortium | | 分子名称: | hydrolase Ple629 | | 著者 | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | 登録日 | 2021-10-15 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
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6VX5
 | | bestrophin-2 Ca2+- unbound state (250 nM Ca2+) | | 分子名称: | Bestrophin, CHLORIDE ION | | 著者 | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | | 登録日 | 2020-02-21 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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8CIZ
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A. | | 分子名称: | Beta sliding clamp, Mycoplanecin A | | 著者 | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | 登録日 | 2023-02-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIY
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin. | | 分子名称: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | 著者 | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | 登録日 | 2023-02-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIX
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | | 分子名称: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | 著者 | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | 登録日 | 2023-02-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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7VMD
 | | Crystal structure of a hydrolases Ple628 from marine microbial consortium | | 分子名称: | CALCIUM ION, hydrolase Ple628 | | 著者 | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | 登録日 | 2021-10-08 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
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7F0J
 | | CryoEM structure of human Kv4.2 | | 分子名称: | Potassium voltage-gated channel subfamily D member 2, ZINC ION | | 著者 | Kise, Y, Nureki, O. | | 登録日 | 2021-06-04 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis of gating modulation of Kv4 channel complexes.
Nature, 599, 2021
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7F3F
 | | CryoEM structure of human Kv4.2-KChIP1 complex | | 分子名称: | Isoform 2 of Kv channel-interacting protein 1, Potassium voltage-gated channel subfamily D member 2 | | 著者 | Kise, Y, Nureki, O. | | 登録日 | 2021-06-16 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis of gating modulation of Kv4 channel complexes.
Nature, 599, 2021
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7VPB
 | | Crystal structure of a novel hydrolase in apo form | | 分子名称: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, ACETATE ION, plastic degrading hydrolase Ple629 | | 著者 | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | 登録日 | 2021-10-15 | | 公開日 | 2022-10-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural insight and engineering of a plastic degrading hydrolase Ple629.
Biochem.Biophys.Res.Commun., 626, 2022
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