8RWX
 
 | | Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography | | 分子名称: | 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, OLEIC ACID, ... | | 著者 | Glover, H, Bertrand, Q, Weinert, T. | | 登録日 | 2024-02-05 | | 公開日 | 2025-01-08 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RVW
 | | Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch "StilSwitch3" determined by serial synchrotron crystallography | | 分子名称: | 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | 著者 | Glover, H, Bertrand, Q. | | 登録日 | 2024-02-02 | | 公開日 | 2025-01-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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5NNE
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated TOP2A peptide (K1201ac/K1204ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GKA(ALY)GK(ALY)TQMY | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2017-04-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6XKT
 | | R. capsulatus cyt bc1 with both FeS proteins in c position (CIII2 c-c) | | 分子名称: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | 登録日 | 2020-06-27 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | | 主引用文献 | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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8ZTB
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2K8T
 | | Solution NMR structure of trans-4-hydroxynonenal derived dG adduct of (6R,8S,11R)-configuration opposite dC | | 分子名称: | (2S,5R)-5-pentyltetrahydrofuran-2-ol, 5'-D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3', 5'-D(*DGP*DGP*DAP*DCP*DTP*DCP*DGP*DCP*DTP*DAP*DGP*DC)-3' | | 著者 | Huang, H, Wang, H, Qi, N, Lloyd, R.S, Rizzo, C.J, Stone, M.P. | | 登録日 | 2008-09-23 | | 公開日 | 2008-11-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The stereochemistry of trans-4-hydroxynonenal-derived exocyclic 1,N2-2'-deoxyguanosine adducts modulates formation of interstrand cross-links in the 5'-CpG-3' sequence.
Biochemistry, 47, 2008
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6Z1B
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6XOA
 | | The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase | | 著者 | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-07-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation
To Be Published
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6XV7
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | | 登録日 | 2020-01-21 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.668 Å) | | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8IZF
 | | Cryo-EM structure of the Lac1-Lip1 (Lip1-S74F) complex | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1 | | 著者 | Xie, T, Fang, Q, Gong, X. | | 登録日 | 2023-04-07 | | 公開日 | 2023-12-13 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (3.85 Å) | | 主引用文献 | Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
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6FUN
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6ZU4
 | | Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin | | 分子名称: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ... | | 著者 | You, W, Steegborn, C. | | 登録日 | 2020-07-21 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural Basis for Activation of Human Sirtuin 6 by Fluvastatin.
Acs Med.Chem.Lett., 11, 2020
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8UT4
 | | CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody 09-1B12 | | 分子名称: | 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Huang, J, Han, J, Ward, A.B. | | 登録日 | 2023-10-30 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
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8IZD
 | | Cryo-EM structure of the C26-CoA-bound Lac1-Lip1 complex | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1, ... | | 著者 | Xie, T, Fang, Q, Gong, X. | | 登録日 | 2023-04-07 | | 公開日 | 2023-12-13 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
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5MQT
 | | Crystal structure of dCK mutant C3S in complex with imatinib and UDP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Deoxycytidine kinase, ... | | 著者 | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | | 登録日 | 2016-12-20 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
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7UUY
 | | Structure of the sodium/iodide symporter (NIS) | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sodium/iodide cotransporter | | 著者 | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | 登録日 | 2022-04-29 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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6XGZ
 | | Crystal structure of E. coli MlaFB ABC transport subunits in the monomeric state | | 分子名称: | 1,2-ETHANEDIOL, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ... | | 著者 | Chang, Y, Bhabha, G, Ekiert, D.C. | | 登録日 | 2020-06-18 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of MlaFB uncovers novel mechanisms of ABC transporter regulation.
Elife, 9, 2020
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6XI0
 | | R. capsulatus cyt bc1 (CIII2) at 3.3A | | 分子名称: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | 登録日 | 2020-06-19 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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6UQ9
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6UQM
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8S6I
 | | Crystal structure of the human CDKL2 kinase domain with Compound 9 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase-like 2, ... | | 著者 | Chen, X, Ni, X, Brooke, L, Bullock, A.N. | | 登録日 | 2024-02-27 | | 公開日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery and Characterization of a Chemical Probe for Cyclin-Dependent Kinase-Like 2.
Acs Med.Chem.Lett., 15, 2024
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6XJ8
 | | KPC-2 N170A mutant bound to hydrolyzed imipenem at 2.05 A | | 分子名称: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2020-06-23 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
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8UTK
 | | IL-23R minibinder - 23R-B04dslf02IB | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ... | | 著者 | Bera, A.K, Berger, S.A, Kang, A, Baker, D. | | 登録日 | 2023-10-31 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 187, 2024
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7ATL
 | | EstCE1, a hydrolase with promiscuous acyltransferase activity | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ... | | 著者 | Palm, G.J, Lammers, M, Berndt, L. | | 登録日 | 2020-10-30 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.478 Å) | | 主引用文献 | Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8RZF
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