6XBY
 
 | | Cryo-EM structure of V-ATPase from bovine brain, state 2 | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, R, Li, X. | | 登録日 | 2020-06-07 | | 公開日 | 2020-08-19 | | 実験手法 | ELECTRON MICROSCOPY (3.79 Å) | | 主引用文献 | Cryo-EM structures of intact V-ATPase from bovine brain.
Nat Commun, 11, 2020
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5HQP
 | | Crystal structure of the ERp44-peroxiredoxin 4 complex | | 分子名称: | Endoplasmic reticulum resident protein 44, Peroxiredoxin-4 | | 著者 | Yang, K, Li, D.F, Wang, X, Wang, C.C. | | 登録日 | 2016-01-22 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of the ERp44-Peroxiredoxin 4 Complex Reveals the Molecular Mechanisms of Thiol-Mediated Protein Retention.
Structure, 24, 2016
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6KVA
 | | Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope | | 分子名称: | 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ... | | 著者 | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | | 登録日 | 2019-09-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
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8DSZ
 | | PPARg bound to partial agonist H3B-487 | | 分子名称: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-24 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DSY
 | | PPARg bound to inverse agonist H3B-343 | | 分子名称: | Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-24 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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4NCE
 | | Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2013-10-24 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
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7RIT
 | | Drug-free A. baumannii MsbA | | 分子名称: | ATP-dependent lipid A-core flippase | | 著者 | Thelot, F, Liao, M. | | 登録日 | 2021-07-20 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (5.2 Å) | | 主引用文献 | Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
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7RCO
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6KVF
 | | Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope | | 分子名称: | Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain | | 著者 | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | | 登録日 | 2019-09-04 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
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7R6Z
 | | OXA-48 bound by Compound 3.3 | | 分子名称: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | | 登録日 | 2021-06-24 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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6XBW
 | | Cryo-EM structure of V-ATPase from bovine brain, state 1 | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, R, Li, X. | | 登録日 | 2020-06-07 | | 公開日 | 2020-08-19 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Cryo-EM structures of intact V-ATPase from bovine brain.
Nat Commun, 11, 2020
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8E9F
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6AKX
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | | 分子名称: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | | 著者 | Zhu, Y, Zhao, Q, Wu, B. | | 登録日 | 2018-09-04 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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7LV9
 | | Marseillevirus heterotrimeric (hexameric) nucleosome | | 分子名称: | DNA (96-MER), Histone doublet Beta-Alpha (Alpha), Histone doublet Beta-Alpha (Beta), ... | | 著者 | Valencia-Sanchez, M.I, Abini-Agbomson, S, Armache, K.-J. | | 登録日 | 2021-02-24 | | 公開日 | 2021-05-05 | | 最終更新日 | 2021-05-26 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | The structure of a virus-encoded nucleosome.
Nat.Struct.Mol.Biol., 28, 2021
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6L8T
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8K8J
 | | Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 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 | Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y. | | 登録日 | 2023-07-30 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1.
Adv Sci, 11, 2024
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4NCM
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8DZB
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11 | | 分子名称: | 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2022-08-06 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
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8DZC
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17 | | 分子名称: | (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2022-08-06 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
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6XNV
 | | CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES CBPB PROTEIN (LMO1009) IN COMPLEX WITH C-DI-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CBS domain-containing protein | | 著者 | Luo, S, Tong, L. | | 登録日 | 2020-07-04 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | (p)ppGpp and c-di-AMP Homeostasis Is Controlled by CbpB in Listeria monocytogenes.
Mbio, 11, 2020
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5LGG
 | | The N-terminal WD40 domain of Apc1 (Anaphase promoting complex subunit 1) | | 分子名称: | Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1 | | 著者 | Li, Q, Aibara, S, Barford, D. | | 登録日 | 2016-07-07 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | WD40 domain of Apc1 is critical for the coactivator-induced allosteric transition that stimulates APC/C catalytic activity.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4KW5
 | | M. tuberculosis DprE1 in complex with inhibitor TCA1 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | | 著者 | Batt, S.M, Besra, G.S, Futterer, K. | | 登録日 | 2013-05-23 | | 公開日 | 2013-07-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | | 主引用文献 | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5LG4
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7PKN
 | | Structure of the human CCAN deltaCT complex | | 分子名称: | Centromere protein H, Centromere protein I, Centromere protein K, ... | | 著者 | Muir, K.W, Yatskevich, S, Bellini, D, Barford, D. | | 登録日 | 2021-08-25 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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8GTZ
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