7MYJ
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![BU of 7myj by Molmil](/molmil-images/mine/7myj) | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | 分子名称: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | 著者 | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | 登録日 | 2021-05-21 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator. Biochem.J., 479, 2022
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7RA5
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![BU of 7ra5 by Molmil](/molmil-images/mine/7ra5) | CDK2 IN COMPLEX WITH COMPOUND 4 | 分子名称: | 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine, Cyclin-dependent kinase 2 | 著者 | Marineau, J.J, Malojcic, G. | 登録日 | 2021-06-30 | 公開日 | 2021-11-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7. J.Med.Chem., 65, 2022
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4X63
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![BU of 4x63 by Molmil](/molmil-images/mine/4x63) | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH | 分子名称: | Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2014-12-06 | 公開日 | 2015-04-22 | 最終更新日 | 2015-05-27 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
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4Y30
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![BU of 4y30 by Molmil](/molmil-images/mine/4y30) | Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411 | 分子名称: | GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ... | 著者 | Swinger, K.K, Boriack-Sjodin, P.A. | 登録日 | 2015-02-10 | 公開日 | 2015-04-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. Acs Med.Chem.Lett., 6, 2015
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4Y2H
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4X60
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![BU of 4x60 by Molmil](/molmil-images/mine/4x60) | Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | 分子名称: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2014-12-06 | 公開日 | 2015-04-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
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4X61
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![BU of 4x61 by Molmil](/molmil-images/mine/4x61) | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM | 分子名称: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2014-12-06 | 公開日 | 2015-04-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
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6ARJ
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![BU of 6arj by Molmil](/molmil-images/mine/6arj) | Crystal structure of CARM1 with EPZ022302 and SAH | 分子名称: | GLYCEROL, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Boriack-Sjodin, P.A, Jin, L. | 登録日 | 2017-08-22 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma. Sci Rep, 7, 2017
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6ARV
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![BU of 6arv by Molmil](/molmil-images/mine/6arv) | Crystal structure of CARM1 with Compound 2 and SAH | 分子名称: | (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | 著者 | Boriack-Sjodin, P.A, Jin, L. | 登録日 | 2017-08-23 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma. Sci Rep, 7, 2017
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5CCL
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![BU of 5ccl by Molmil](/molmil-images/mine/5ccl) | Crystal structure of SMYD3 with SAM and oxindole compound | 分子名称: | 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2015-07-02 | 公開日 | 2015-09-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
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5CCM
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![BU of 5ccm by Molmil](/molmil-images/mine/5ccm) | Crystal structure of SMYD3 with SAM and EPZ030456 | 分子名称: | 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2015-07-02 | 公開日 | 2015-09-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
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8T7Q
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![BU of 8t7q by Molmil](/molmil-images/mine/8t7q) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | 分子名称: | 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Tang, Y, Nguyen, V, Wilbur, J.D. | 登録日 | 2023-06-21 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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8T8Q
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![BU of 8t8q by Molmil](/molmil-images/mine/8t8q) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | 分子名称: | 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Tang, Y, Nguyen, V, Wilbur, J.D. | 登録日 | 2023-06-23 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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8T6D
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![BU of 8t6d by Molmil](/molmil-images/mine/8t6d) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | 分子名称: | (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Tang, Y, Nguyen, V, Wilbur, J.D. | 登録日 | 2023-06-15 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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8T6G
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![BU of 8t6g by Molmil](/molmil-images/mine/8t6g) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | 分子名称: | (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Tang, Y, Nugyen, V, Wilbur, J.D. | 登録日 | 2023-06-15 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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4LI8
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![BU of 4li8 by Molmil](/molmil-images/mine/4li8) | TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | 分子名称: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.521 Å) | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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4LI6
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![BU of 4li6 by Molmil](/molmil-images/mine/4li6) | TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide | 分子名称: | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide, SULFATE ION, Tankyrase-1, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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4LI7
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![BU of 4li7 by Molmil](/molmil-images/mine/4li7) | TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide | 分子名称: | 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide, SODIUM ION, SULFATE ION, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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4KRS
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![BU of 4krs by Molmil](/molmil-images/mine/4krs) | Tankyrase-1 complexed with small molecule inhibitor | 分子名称: | 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ... | 著者 | Stams, T, Kirby, C. | 登録日 | 2013-05-17 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases. J.Med.Chem., 56, 2013
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5EML
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5EMJ
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5EMK
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5EMM
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4HRA
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![BU of 4hra by Molmil](/molmil-images/mine/4hra) | Crystal Structure of DOT1L in Complex with EPZ-5676 | 分子名称: | 5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Jin, L. | 登録日 | 2012-10-26 | 公開日 | 2013-07-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Potent inhibition of DOT1L as treatment of MLL-fusion leukemia. Blood, 122, 2013
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5V37
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![BU of 5v37 by Molmil](/molmil-images/mine/5v37) | Crystal structure of SMYD3 with SAM and EPZ028862 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2017-03-06 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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