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4WUY
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BU of 4wuy by Molmil
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
Descriptor: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
Authors:Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
Deposit date:2014-11-04
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
6W6D
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BU of 6w6d by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor
Descriptor: (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2020-03-16
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
4GQB
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BU of 4gqb by Molmil
Crystal Structure of the human PRMT5:MEP50 Complex
Descriptor: (2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid, Histone H4 peptide, Methylosome protein 50, ...
Authors:Antonysamy, S, Bonday, Z, Campbell, R, Doyle, B, Druzina, Z, Gheyi, T, Han, B, Jungheim, L.N, Qian, Y, Rauch, C, Russell, M, Sauder, J.M, Wasserman, S.R, Weichert, K, Willard, F.S, Zhang, A, Emtage, S.
Deposit date:2012-08-22
Release date:2012-10-17
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
1PYE
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BU of 1pye by Molmil
Crystal structure of CDK2 with inhibitor
Descriptor: Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE
Authors:Zhang, F, Hamdouchi, C.
Deposit date:2003-07-08
Release date:2004-07-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines.
MOL.CANCER THER., 3, 2004
6CKC
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BU of 6ckc by Molmil
Structure of PRMT5:MEP50 in complex with LLY-283, a potent and selective inhibitor of PRMT5, with antitumor activity
Descriptor: 7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:Antonysamy, S.
Deposit date:2018-02-27
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity.
ACS Med Chem Lett, 9, 2018
6C2T
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BU of 6c2t by Molmil
Aurora A ligand complex
Descriptor: (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ...
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
6C2R
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BU of 6c2r by Molmil
Aurora A ligand complex
Descriptor: (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
1RW8
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BU of 1rw8 by Molmil
Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor
Descriptor: 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE, TGF-beta receptor type I
Authors:Zhang, F, Sawyer, J.S.
Deposit date:2003-12-16
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain.
Bioorg.Med.Chem.Lett., 14, 2004
1PY5
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BU of 1py5 by Molmil
Crystal Structure of TGF-beta receptor I kinase with inhibitor
Descriptor: 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE, SULFATE ION, TGF-beta receptor type I
Authors:Zhang, F, Sawyer, J.S.
Deposit date:2003-07-08
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain.
Bioorg.Med.Chem.Lett., 14, 2004

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