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6DKB
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BU of 6dkb by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b.
分子名称: 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, High affinity nerve growth factor receptor
著者Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
登録日2018-05-29
公開日2018-07-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
6DKI
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BU of 6dki by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19.
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide, High affinity nerve growth factor receptor
著者Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
登録日2018-05-29
公開日2018-07-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
6DKG
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BU of 6dkg by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b.
分子名称: 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, High affinity nerve growth factor receptor
著者Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
登録日2018-05-29
公開日2018-07-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
6KRE
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BU of 6kre by Molmil
TRiC at 0.05 mM ADP-AlFx, Conformation 2, 0.05-C2
分子名称: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
著者Jin, M, Cong, Y.
登録日2019-08-21
公開日2019-09-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.45 Å)
主引用文献An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
6KS8
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BU of 6ks8 by Molmil
TRiC at 0.1 mM ADP-AlFx, Conformation 4, 0.1-C4
分子名称: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
著者Jin, M, Cong, Y.
登録日2019-08-23
公開日2019-09-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.69 Å)
主引用文献An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DKW
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BU of 6dkw by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 3.
分子名称: 5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide, Tyrosine-protein kinase receptor
著者Greasley, S.E, Brown, D.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
6KRD
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BU of 6krd by Molmil
TRiC at 0.05 mM ADP-AlFx, Conformation 4, 0.05-C4
分子名称: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
著者Jin, M, Cong, Y.
登録日2019-08-21
公開日2019-09-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.38 Å)
主引用文献An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UJH
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BU of 6ujh by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5XL6
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BU of 5xl6 by Molmil
The structure of hemagglutinin Q226L mutant from a avian-origin H4N6 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, F.G.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6KS7
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BU of 6ks7 by Molmil
TRiC at 0.1 mM ADP-AlFx, Conformation 1, 0.1-C1
分子名称: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
著者Jin, M, Cong, Y.
登録日2019-08-23
公開日2019-09-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.62 Å)
主引用文献An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
5XL7
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BU of 5xl7 by Molmil
The structure of hemagglutinin Q226L mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6UJ4
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BU of 6uj4 by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
著者Zhao, B.
登録日2019-10-02
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJL
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BU of 6ujl by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5XLA
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BU of 5xla by Molmil
The structure of hemagglutinin G228S mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL4
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BU of 5xl4 by Molmil
The structure of hemagglutinin from an avian-origin H4N6 influenza virus in complex with human receptor analog Lstc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6UTH
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BU of 6uth by Molmil
Allosteric coupling between alpha-rings of 20S proteasome, 20S proteasome singly capped with a PA26/E102A_PANc, together with LFP incubation
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Cheng, Y, Yu, Z.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
8HKC
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BU of 8hkc by Molmil
Cryo-EM structure of E. coli RNAP sigma32 complex
分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Wu, S, Ma, L.X.
登録日2022-11-25
公開日2023-05-31
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Structural Insight into the Mechanism of sigma 32-Mediated Transcription Initiation of Bacterial RNA Polymerase.
Biomolecules, 13, 2023
5XL8
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BU of 5xl8 by Molmil
The structure of hemagglutinin G228S mutant from a avian-origin H4N6 influenza virus (A/duck/Czech/1956)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6UTJ
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BU of 6utj by Molmil
Allosteric couple between alpha rings of the 20S proteasome. 20S proteasome singly capped by PA26/E102A, C-terminus replaced by PAN C-terminus
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Cheng, Y, Yu, Z.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
5XLB
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BU of 5xlb by Molmil
The structure of hemagglutinin Q226L-G228S mutant from an avian-origin H4N6 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6KS6
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BU of 6ks6 by Molmil
TRiC at 0.2 mM ADP-AlFx, Conformation 1, 0.2-C1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Jin, M, Cong, Y.
登録日2019-08-23
公開日2019-09-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
5XL2
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BU of 5xl2 by Molmil
The structure of hemagglutininfrom a swine-origin H4N6 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XLD
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BU of 5xld by Molmil
The structure of hemagglutinin Q226L-G228S mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Song, H, Qi, J, Gao, F.G.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5XL9
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BU of 5xl9 by Molmil
The structure of hemagglutinin G228S mutant from an avian-origin H4N6 influenza virus in complex with avian receptor analog LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, F.G.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017

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