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8F0K
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BU of 8f0k by Molmil
Human Amylin3 Receptor in complex with Gs and Pramlintide analogue peptide San385
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Cao, J, Sexton, P.M, Wootten, D.L.
登録日2022-11-03
公開日2023-08-02
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
8F0J
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BU of 8f0j by Molmil
Calcitonin Receptor in complex with Gs and Pramlintide analogue peptide San45
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Cao, J, Sexton, P.M, Wootten, D.L, Belousoff, M.J.
登録日2022-11-03
公開日2023-08-02
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
6LMK
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BU of 6lmk by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gs
分子名称: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B.
登録日2019-12-26
公開日2020-04-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
1COL
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BU of 1col by Molmil
REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION
分子名称: COLICIN A
著者Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D.
登録日1991-07-06
公開日1992-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Refined structure of the pore-forming domain of colicin A at 2.4 A resolution.
J.Mol.Biol., 224, 1992
6X1A
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BU of 6x1a by Molmil
Non peptide agonist PF-06882961, bound to Glucagon-Like peptide-1 (GLP-1) Receptor
分子名称: 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Zhang, X, Danev, R.
登録日2020-05-18
公開日2020-09-09
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
5KJ2
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BU of 5kj2 by Molmil
The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer
分子名称: Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION
著者Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C.
登録日2016-06-17
公開日2017-09-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
7N4S
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BU of 7n4s by Molmil
Bruton's tyrosine kinase in complex with compound 65
分子名称: (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
7N4R
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BU of 7n4r by Molmil
Bruton's tyrosine kinase in complex with compound 21
分子名称: DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
7N4Q
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BU of 7n4q by Molmil
Bruton's tyrosine kinase in complex with compound 45
分子名称: (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
3O17
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BU of 3o17 by Molmil
Crystal Structure of JNK1-alpha1 isoform
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
著者Abad-Zapatero, C.
登録日2010-07-20
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
2RFX
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BU of 2rfx by Molmil
Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J.
登録日2007-10-02
公開日2008-07-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
7TYL
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BU of 7tyl by Molmil
Calcitonin Receptor in complex with Gs and rat amylin peptide, bypass motif
分子名称: Calcitonin receptor, 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Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-13
公開日2022-03-23
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TZF
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BU of 7tzf by Molmil
Human Amylin3 Receptor in complex with Gs and rat amylin peptide
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-15
公開日2022-03-23
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYH
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BU of 7tyh by Molmil
Human Amylin2 Receptor in complex with Gs and human calcitonin peptide
分子名称: Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-13
公開日2022-03-23
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYO
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BU of 7tyo by Molmil
Calcitonin receptor in complex with Gs and human calcitonin peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-14
公開日2022-03-23
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYY
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BU of 7tyy by Molmil
Human Amylin2 Receptor in complex with Gs and salmon calcitonin peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-14
公開日2022-03-23
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYN
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BU of 7tyn by Molmil
Calcitonin Receptor in complex with Gs and salmon calcitonin peptide
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-13
公開日2022-03-30
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYF
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BU of 7tyf by Molmil
Human Amylin1 Receptor in complex with Gs and rat amylin peptide
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-13
公開日2022-03-23
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYW
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BU of 7tyw by Molmil
Human Amylin1 Receptor in complex with Gs and salmon calcitonin peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-14
公開日2022-03-23
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYX
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BU of 7tyx by Molmil
Human Amylin2 Receptor in complex with Gs and rat amylin peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-14
公開日2022-03-30
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYI
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BU of 7tyi by Molmil
Calcitonin Receptor in complex with Gs and rat amylin peptide, CT-like state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-13
公開日2022-03-30
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
6QG9
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BU of 6qg9 by Molmil
Crystal structure of Ideonella sakaiensis MHETase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
登録日2019-01-10
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
6QGA
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BU of 6qga by Molmil
Crystal structure of Ideonella sakaiensis MHETase bound to the non-hydrolyzable ligand MHETA
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-hydroxyethylcarbamoyl)benzoic acid, CALCIUM ION, ...
著者Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
登録日2019-01-10
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
6QGC
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BU of 6qgc by Molmil
PETase from Ideonella sakaiensis without ligand
分子名称: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
登録日2019-01-10
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
6WHC
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BU of 6whc by Molmil
CryoEM Structure of the glucagon receptor with a dual-agonist peptide
分子名称: Dual-agonist peptide, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Sexton, P, Danev, R.
登録日2020-04-07
公開日2020-05-27
最終更新日2020-07-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide.
J.Biol.Chem., 295, 2020

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