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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.
Descriptor: 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
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-05-29
Release date:2018-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.68 Å)
Cite: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.
Descriptor: 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
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-05-29
Release date:2018-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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.
Descriptor: 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
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-05-29
Release date:2018-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite: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
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Jin, M, Cong, Y.
Deposit date:2019-08-21
Release date:2019-09-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.45 Å)
Cite: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
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Jin, M, Cong, Y.
Deposit date:2019-08-23
Release date:2019-09-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite: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.
Descriptor: 5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide, Tyrosine-protein kinase receptor
Authors:Greasley, S.E, Brown, D.
Deposit date:2018-05-31
Release date:2018-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite: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
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Jin, M, Cong, Y.
Deposit date:2019-08-21
Release date:2019-09-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.38 Å)
Cite: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
Descriptor: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.493 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite: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
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Jin, M, Cong, Y.
Deposit date:2019-08-23
Release date:2019-09-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.62 Å)
Cite: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
Descriptor: 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
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-10-02
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
Authors:Phan, J.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.599 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite: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
Descriptor: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
Authors:Cheng, Y, Yu, Z.
Deposit date:2019-10-29
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Wu, S, Ma, L.X.
Deposit date:2022-11-25
Release date:2023-05-31
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite: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
Descriptor: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
Authors:Cheng, Y, Yu, Z.
Deposit date:2019-10-29
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Jin, M, Cong, Y.
Deposit date:2019-08-23
Release date:2019-09-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
Authors:Phan, J.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.731 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017

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