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PDB: 1326 results

5W3L
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BU of 5w3l by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (4 degrees Celsius, molar ratio 1:3, full particle)
Descriptor: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
Authors:Liu, Y, Dong, Y, Rossmann, M.G.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W3E
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BU of 5w3e by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:3, full particle)
Descriptor: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
Authors:Liu, Y, Dong, Y, Rossmann, M.G.
Deposit date:2017-06-07
Release date:2017-07-12
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6ELP
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BU of 6elp by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-29
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5W3M
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BU of 5w3m by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:1, full particle)
Descriptor: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
Authors:Liu, Y, Dong, Y, Rossmann, M.G.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (2.26 Å)
Cite:Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6EI5
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BU of 6ei5 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-17
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5NMM
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BU of 5nmm by Molmil
The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene.
Descriptor: Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1
Authors:Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M.
Deposit date:2017-04-06
Release date:2018-02-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
6EII
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BU of 6eii by Molmil
The crystal structure of CK2alpha in complex with compound 18
Descriptor: (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-09-19
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6EHK
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BU of 6ehk by Molmil
The crystal structure of CK2alpha in complex with CAM4712 and compound 37
Descriptor: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 2-hydroxy-5-methylbenzoic acid, ACETATE ION, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-09-13
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6EHU
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BU of 6ehu by Molmil
The crystal structure of CK2alpha in complex with compound 32
Descriptor: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-09-15
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6EQC
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BU of 6eqc by Molmil
Cryo-EM reconstruction of a complex of a binding protein and human adenovirus C5 hexon
Descriptor: Hexon protein, scFv of 9C12 antibody
Authors:Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A.
Deposit date:2017-10-12
Release date:2018-02-07
Last modified:2018-02-14
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
6ELN
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BU of 6eln by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-29
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6ELO
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BU of 6elo by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-29
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5OW6
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BU of 5ow6 by Molmil
CryoEM structure of recombinant CMV particles with Tetanus-epitope
Descriptor: Capsid protein, VP2, VP3, ...
Authors:Kotecha, A, Stuart, D.I, Backmann, M.
Deposit date:2017-08-30
Release date:2017-09-13
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Incorporation of tetanus-epitope into virus-like particles achieves vaccine responses even in older recipients in models of psoriasis, Alzheimer's and cat allergy.
NPJ Vaccines, 2, 2017
5OVT
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BU of 5ovt by Molmil
Thiobacillus denitrificans BPH in complex with Epoxomicin
Descriptor: BPH, Epoxomicin, PHOSPHATE ION
Authors:Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D.
Deposit date:2017-08-29
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties.
J. Biol. Chem., 293, 2018
6EL5
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BU of 6el5 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-27
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5O3Q
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BU of 5o3q by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with cyclic AMP (cAMP)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, BICARBONATE ION, Membrane-associated protein slr1513
Authors:Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D.
Deposit date:2017-05-24
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EY9
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BU of 6ey9 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5OVS
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BU of 5ovs by Molmil
Thiobacillus denitrificans BPH
Descriptor: BPH
Authors:Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D.
Deposit date:2017-08-29
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties.
J. Biol. Chem., 293, 2018
9EZZ
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BU of 9ezz by Molmil
Bacterial histone protein HBb from Bdellovibrio bacteriovorus bound to DNA
Descriptor: DNA (5'-D(P*AP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*T)-3'), PHOSPHATE ION, ...
Authors:Hu, Y, Albrecht, R, Hartmann, M.D.
Deposit date:2024-04-14
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending.
Nucleic Acids Res., 2024
9F0E
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BU of 9f0e by Molmil
Bacterial histone protein HBb from Bdellovibrio bacteriovorus bound to DNA
Descriptor: DNA (5'-D(P*CP*GP*TP*TP*AP*AP*AP*GP*C)-3'), PHOSPHATE ION, Transcription factor CBF/NF-Y/archaeal histone domain-containing protein
Authors:Hu, Y, Albrecht, R, Hartmann, M.D.
Deposit date:2024-04-15
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending.
Nucleic Acids Res., 2024
5NJE
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BU of 5nje by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene.
Descriptor: Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1
Authors:Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M.
Deposit date:2017-03-28
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
4C0Y
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BU of 4c0y by Molmil
Cryo-EM reconstruction of empty enterovirus 71 in complex with a neutralizing antibody E18
Descriptor: FAB EV18 4 D6-1 F1 G9, VP1, VP2, ...
Authors:Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G.
Deposit date:2013-08-08
Release date:2014-02-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (16 Å)
Cite:Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71.
Proc.Natl.Acad.Sci.USA, 111, 2014
6EY8
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BU of 6ey8 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, SULFATE ION, ...
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6EYA
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BU of 6eya by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: Heat shock protein HSP 90-alpha, ~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6EYB
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BU of 6eyb by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol, Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018

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數據於2024-08-07公開中

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