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5A3G
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BU of 5a3g by Molmil
Structure of herpesvirus nuclear egress complex subunit M50
Descriptor: M50
Authors:Leigh, K.E, Boeszoermenyi, A, Mansueto, M.S, Sharma, M, Filman, D.J, Coen, D.M, Wagner, G, Hogle, J.M, Arthanari, H.
Deposit date:2015-06-01
Release date:2015-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of a Herpesvirus Nuclear Egress Complex Subunit Reveals an Interaction Groove that is Essential for Viral Replication
Proc.Natl.Acad.Sci.USA, 112, 2015
5HD7
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BU of 5hd7 by Molmil
Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
5HD4
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Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
7U30
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BU of 7u30 by Molmil
PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1
Descriptor: (9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
Authors:Palte, R.L.
Deposit date:2022-02-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of unprecedented 9- and 10-membered cyclonucleosides with PRMT5 inhibitory activity.
Bioorg.Med.Chem., 66, 2022
5IWD
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BU of 5iwd by Molmil
HCMV DNA polymerase subunit UL44 complex with a small molecule
Descriptor: 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor
Authors:Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
Deposit date:2016-03-22
Release date:2016-11-30
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
5IXA
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BU of 5ixa by Molmil
HCMV DNA polymerase processivity subunit UL44 at neutral pH and low salt
Descriptor: DNA polymerase processivity factor
Authors:Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
Deposit date:2016-03-23
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.684 Å)
Cite:A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
6UXY
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BU of 6uxy by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8
Descriptor: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
6UXX
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BU of 6uxx by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
Descriptor: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
7KID
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BU of 7kid by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
Descriptor: (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
Authors:Palte, R.L.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIC
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BU of 7kic by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34
Descriptor: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
Authors:Palte, R.L.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIB
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PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
Descriptor: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Palte, R.L, Hayes, R.P.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021

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