1HKY
| Solution structure of a PAN module from Eimeria tenella | Descriptor: | MICRONEME PROTEIN 5 PRECURSOR | Authors: | Brown, P.J, Mulvey, D, Potts, J.R, Tomley, F.M, Campbell, I.D. | Deposit date: | 2002-10-03 | Release date: | 2002-10-17 | Last modified: | 2024-11-13 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Pan Module from the Apicomplexan Parasite Eimeria Tenella J.Struct.Funct.Genom., 4, 2003
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4MTL
| Human Methyltransferase-Like Protein 21C | Descriptor: | Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION | Authors: | Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-19 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Human Methyltransferase-Like Protein 21C To be Published
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6UPT
| Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 | Descriptor: | 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-18 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 to be published
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4ER5
| Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | Descriptor: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4E47
| SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine | Descriptor: | (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Walker, J.R, Ouyang, H, Dong, A, Fish, P, Cook, A, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-12 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Setd7 in Complex with Inhibitor and SAM To be Published
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4ER3
| Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | Descriptor: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER6
| Crystal structure of human DOT1L in complex with inhibitor SGC0946 | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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7RBQ
| Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-06 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor To Be Published
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8UWP
| Crystal structure of SETDB1 Tudor domain in complex with MR46747 | Descriptor: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-07 | Release date: | 2023-11-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with MR46747 To be published
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7U9I
| Co-crystal structure of human CARM1 in complex with MT556 inhibitor | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor To Be Published
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6AU2
| Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-30 | Release date: | 2017-10-11 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification and characterization of the first fragment hits for SETDB1 Tudor domain. Bioorg.Med.Chem., 27, 2019
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6AU3
| Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-30 | Release date: | 2017-09-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments to be published
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8G5E
| Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 | Descriptor: | Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION | Authors: | Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-13 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 To be published
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8G45
| Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe | Descriptor: | 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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8G43
| Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | Descriptor: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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8G44
| Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | Descriptor: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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4WUY
| 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
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8SHJ
| Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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4XCX
| METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase | Authors: | Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-18 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structure of human C1ORF59 in complex with SAH To be published
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8T55
| Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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8T5I
| Crystal structure of human WDR5 in complex with MR4397 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | Authors: | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-13 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human WDR5 in complex with MR4397 To be published
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8EOM
| TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 | Descriptor: | 4-(4-methylpiperazine-1-sulfonyl)benzamide, SULFATE ION, TP53-binding protein 1, ... | Authors: | The, J, Hong, Z, Headey, S, Gunzburg, M, Doak, B, James, L.I, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-03 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 to be published
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8F0W
| Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 | Descriptor: | 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-04 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 to be published
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4RYL
| Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | Descriptor: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | Authors: | Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-15 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3). Angew.Chem.Int.Ed.Engl., 54, 2015
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7T39
| Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-12-07 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor To Be Published
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