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5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5KN2
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BU of 5kn2 by Molmil
Native bovine skeletal calsequestrin, high-Ca2+ form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Calsequestrin
Authors:Lewis, K.M, Byrd, S.S, Kang, C.
Deposit date:2016-06-27
Release date:2016-10-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle.
Int J Mol Sci, 17, 2016
5VIB
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BU of 5vib by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
2RLY
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BU of 2rly by Molmil
FBP28WW2 domain in complex with PTPPPLPP peptide
Descriptor: Formin-1, Transcription elongation regulator 1
Authors:Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
Deposit date:2007-09-03
Release date:2007-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
6W7W
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BU of 6w7w by Molmil
30S-Inactive-low-Mg2+ Class B
Descriptor: 16S rRNA, 30S ribosomal protein S12, 30S ribosomal protein S15, ...
Authors:Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
Deposit date:2020-03-19
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
6G91
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BU of 6g91 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9K
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BU of 6g9k by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-11
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6VYT
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BU of 6vyt by Molmil
Escherichia coli transcription-translation complex A2 (TTC-A2) containing a 15 nt long mRNA spacer, NusG, and fMet-tRNAs at P-site and E-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H, Su, M.
Deposit date:2020-02-27
Release date:2020-09-02
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6GAJ
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BU of 6gaj by Molmil
Crystal structure of the T1L reovirus sigma1 coiled coil tail (iodide)
Descriptor: CHLORIDE ION, IODIDE ION, Outer capsid protein sigma-1
Authors:Dietrich, M.H, Stehle, T.
Deposit date:2018-04-11
Release date:2018-04-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Functional Features of the Reovirus sigma 1 Tail.
J. Virol., 92, 2018
5KPV
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BU of 5kpv by Molmil
Structure of RelA bound to ribosome in presence of A/R tRNA (Structure II)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
2UW0
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BU of 2uw0 by Molmil
Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine
Descriptor: 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UW6
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BU of 2uw6 by Molmil
Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine
Descriptor: (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
6VWM
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BU of 6vwm by Molmil
70S ribosome bound to HIV frameshifting stem-loop (FSS) and P-site tRNA (non-rotated conformation, Structure I)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loerch, S, Bao, C, Ling, C, Korostelev, A.A, Grigorieff, N, Ermolenko, D.M.
Deposit date:2020-02-20
Release date:2020-06-03
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:mRNA stem-loops can pause the ribosome by hindering A-site tRNA binding.
Elife, 9, 2020
6VZ2
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BU of 6vz2 by Molmil
Escherichia coli transcription-translation complex D1 (TTC-D1) containing mRNA with a 27 nt long spacer, NusG, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-02-27
Release date:2020-09-02
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
2UVZ
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BU of 2uvz by Molmil
Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine
Descriptor: (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
6W6K
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BU of 6w6k by Molmil
30S-Activated-high-Mg2+
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
Deposit date:2020-03-17
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
6HHG
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BU of 6hhg by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide
Authors:Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
Deposit date:2018-08-28
Release date:2019-02-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
6GE0
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BU of 6ge0 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:O'Reilly, M.
Deposit date:2018-04-25
Release date:2018-05-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
2UW3
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BU of 2uw3 by Molmil
Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole
Descriptor: 3-METHYL-4-PHENYL-1H-PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
2UW8
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BU of 2uw8 by Molmil
Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine
Descriptor: (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery.
J.Med.Chem., 50, 2007
2UVY
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BU of 2uvy by Molmil
Structure of PKA-PKB chimera complexed with methyl-(4-(9H-purin-6-yl)- benzyl)-amine
Descriptor: CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, ...
Authors:Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UVX
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BU of 2uvx by Molmil
Structure of PKA-PKB chimera complexed with 7-azaindole
Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UW7
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BU of 2uw7 by Molmil
Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine
Descriptor: 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
5LAC
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BU of 5lac by Molmil
SeMet Labeled Derivative of Cavally Virus 3CL Protease
Descriptor: 3Cl Protease, GLYCEROL
Authors:Kanitz, M, Heine, A, Diederich, W.E.
Deposit date:2016-06-14
Release date:2017-07-12
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
6GG0
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BU of 6gg0 by Molmil
Cryo-EM structure of BK polyomavirus like particle in complex with single chain antibody ScFv41F17
Descriptor: Capsid protein VP1, Heavy chain, light chain
Authors:Srinivas, H.
Deposit date:2018-05-02
Release date:2019-03-06
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Human Memory B Cells Harbor Diverse Cross-Neutralizing Antibodies against BK and JC Polyomaviruses.
Immunity, 50, 2019

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數據於2024-10-30公開中

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