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5V37
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BU of 5v37 by Molmil
Crystal structure of SMYD3 with SAM and EPZ028862
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2017-03-06
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Plos One, 13, 2018
6AZA
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BU of 6aza by Molmil
NMR structure of sea anemone toxin Kappa-actitoxin-Ate1a
Descriptor: ARG-CYS-LYS-THR-CYS-SER-LYS-GLY-ARG-CYS-ARG-PRO-LYS-PRO-ASN-CYS-GLY-NH2
Authors:Chin, Y.K.-Y, Madio, B, King, G.F, Undheim, E.A.B.
Deposit date:2017-09-10
Release date:2018-09-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:PHAB toxins: a unique family of predatory sea anemone toxins evolving via intra-gene concerted evolution defines a new peptide fold.
Cell. Mol. Life Sci., 75, 2018
6NT2
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BU of 6nt2 by Molmil
type 1 PRMT in complex with the inhibitor GSK3368715
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ...
Authors:Concha, N.O.
Deposit date:2019-01-28
Release date:2019-07-10
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 36, 2019
5EMM
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BU of 5emm by Molmil
Crystal structure of PRMT5:MEP50 with Compound 15 and sinefungin
Descriptor: GLYCEROL, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
Authors:Boriack-Sjodin, P.A, Jin, L.
Deposit date:2015-11-06
Release date:2016-02-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
5EML
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BU of 5eml by Molmil
Crystal structure of PRMT5:MEP50 with Compound 10 and SAM
Descriptor: GLYCEROL, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
Authors:Boriack-Sjodin, P.A, Jin, L.
Deposit date:2015-11-06
Release date:2016-02-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
5EMK
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BU of 5emk by Molmil
Crystal structure of PRMT5:MEP50 with Compound 9 and sinefungin
Descriptor: GLYCEROL, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
Authors:Boriack-Sjodin, P.A, Jin, L.
Deposit date:2015-11-06
Release date:2016-02-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
5EMJ
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BU of 5emj by Molmil
Crystal structure of PRMT5:MEP50 with Compound 8 and sinefungin
Descriptor: (2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol, GLYCEROL, Methylosome protein 50, ...
Authors:Boriack-Sjodin, P.A, Jin, L.
Deposit date:2015-11-06
Release date:2016-02-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.273 Å)
Cite:Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
5T4R
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BU of 5t4r by Molmil
NMR solution structure of the Nav1.7 selective spider venom-derived peptide Pn3a
Descriptor: Mu-theraphotoxin-Pn3a
Authors:Rosengren, K.J, Armstrong, D.A, Vetter, I.
Deposit date:2016-08-30
Release date:2017-09-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Pharmacological characterisation of the highly Na V 1.7 selective spider venom peptide Pn3a.
Sci Rep, 7, 2017
2MPQ
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BU of 2mpq by Molmil
Solution structure of the sodium channel toxin Hd1a
Descriptor: Hd1a
Authors:Klint, J.K, Mobli, M, King, G.F.
Deposit date:2014-06-01
Release date:2015-03-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Seven novel modulators of the analgesic target NaV 1.7 uncovered using a high-throughput venom-based discovery approach.
Br.J.Pharmacol., 172, 2015
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