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8J6I
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Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound MK-6892
分子名称: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X.
登録日2023-04-26
公開日2024-04-03
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
8J6L
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Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound niacin
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(i) subunit alpha-1, ...
著者Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X.
登録日2023-04-26
公開日2024-04-03
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Cell Rep, 42, 2023
6TZ6
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BU of 6tz6 by Molmil
Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
著者Fox III, D, Lukacs, C.M.
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
6M63
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BU of 6m63 by Molmil
Crystal structure of a cAMP sensor G-Flamp1.
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein
著者Zhou, Z, Chen, S, Wang, L, Chu, J.
登録日2020-03-12
公開日2021-09-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
8JPC
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cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPF
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BU of 8jpf by Molmil
Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPE
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BU of 8jpe by Molmil
Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPB
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cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPD
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Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes
分子名称: Beta-adrenergic receptor kinase 1, STAUROSPORINE
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8SDF
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BU of 8sdf by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.4
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yuan, M, Wilson, I.A.
登録日2023-04-06
公開日2024-03-13
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
8SIT
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BU of 8sit by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.24 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.24 fab heavy chain, CC84.24 fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2023-04-16
公開日2024-03-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIS
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BU of 8sis by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.2 Fab heavy chain, CC84.2 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2023-04-16
公開日2024-03-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIR
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BU of 8sir by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC25.54 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC25.54 Fab heavy chain, CC25.54 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2023-04-16
公開日2024-03-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIQ
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BU of 8siq by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibodies CC25.36 and CV38-142 Fab
分子名称: CC25.36 Fab heavy chain, CC25.36 Fab light chain, CV38-142 Fab heavy chain, ...
著者Liu, H, Wilson, I.A.
登録日2023-04-16
公開日2024-03-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
3T1F
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BU of 3t1f by Molmil
Crystal structure of the mouse CD1d-Glc-DAG-s2 complex
分子名称: (2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Girardi, E, Zajonc, D.M.
登録日2011-07-21
公開日2011-09-21
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Invariant natural killer T cells recognize glycolipids from pathogenic Gram-positive bacteria.
Nat.Immunol., 12, 2011
3LRB
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BU of 3lrb by Molmil
Structure of E. coli AdiC
分子名称: Arginine/agmatine antiporter
著者Gao, X, Lu, F, Zhou, L, Shi, Y.
登録日2010-02-10
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Structure and mechanism of an amino acid antiporter
Science, 324, 2009
8SDH
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BU of 8sdh by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.56
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neutralizing antibody CC25.56 Heavy Chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-04-06
公開日2024-08-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
8SCW
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BU of 8scw by Molmil
Crystal structure of IRAK4-HSA complexed with BMS-986147; 6-{5-CYANO-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL}-N-[(2R)-2-FLUORROXY-3-METHYLBUTYL]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE
分子名称: (6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Muckelbauer, J.K, Ghosh, K.
登録日2023-04-05
公開日2025-02-12
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献The Discovery of IRAK4 Inhibitor Clinical Candidates BMS-986126 and BMS-986147 for the Treatment of Autoimmune Diseases
To Be Published
8SCE
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BU of 8sce by Molmil
Crystal structure of IRAK4-HSA complexed with N-[(2R)-2-FLUORO-3-HYDROXY-3-METHYLBUTYL]-6-[(5-FLUOROPYRI-YL)AMINO]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE
分子名称: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide, SULFATE ION
著者Muckelbauer, J.K, Ghosh, K.
登録日2023-04-05
公開日2025-02-12
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Discovery of IRAK4 Inhibitor Clinical Candidates BMS-986126 and BMS-986147 for the Treatment of Autoimmune Diseases
To Be Published
8SCV
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BU of 8scv by Molmil
Crystal structure of IRAK4-HSA complexed with BMS-986126; 6-((5-CYANO-2-PYRIMIDINYL)AMINO)-N-((2R)-2-FLUORO-3-HYDROXHYLBUTYL)-4-(ISOPROPYLAMINO)NICOTINAMIDE
分子名称: 6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Muckelbauer, J.K, Ghosh, K.
登録日2023-04-05
公開日2025-02-12
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The Discovery of IRAK4 Inhibitor Clinical Candidates BMS-986126 and BMS-986147 for the Treatment of Autoimmune Diseases
To Be Published
4DU0
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Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant)
分子名称: CHLORIDE ION, GLYCEROL, Neutrophil defensin 1
著者Wu, X, Lu, W, Pazgier, M.
登録日2012-02-21
公開日2012-04-11
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1
J.Biol.Chem., 287, 2012
4GU1
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Crystal structure of LSD2
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.939 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUU
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Crystal structure of LSD2-NPAC with tranylcypromine
分子名称: Lysine-specific histone demethylase 1B, Putative oxidoreductase GLYR1, ZINC ION, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
3LRC
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BU of 3lrc by Molmil
Structure of E. coli AdiC (P1)
分子名称: Arginine/agmatine antiporter
著者Gao, X, Lu, F, Zhou, L, Shi, Y.
登録日2010-02-11
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4.004 Å)
主引用文献Structure and mechanism of an amino acid antiporter
Science, 324, 2009
8CTO
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Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-16
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022

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件を2025-07-09に公開中

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