1GH2
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![BU of 1gh2 by Molmil](/molmil-images/mine/1gh2) | Crystal structure of the catalytic domain of a new human thioredoxin-like protein | 分子名称: | THIOREDOXIN-LIKE PROTEIN | 著者 | Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z. | 登録日 | 2000-11-01 | 公開日 | 2001-05-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Crystal structure of the catalytic domain of a human thioredoxin-like protein. Eur.J.Biochem., 269, 2002
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6KF8
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![BU of 6kf8 by Molmil](/molmil-images/mine/6kf8) | |
4U0R
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![BU of 4u0r by Molmil](/molmil-images/mine/4u0r) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody 9AD4 | 分子名称: | Monoclonal antibody 9AD4 heavy chain, Monoclonal antibody 9AD4 light chain, Reticulocyte binding protein 5 | 著者 | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | 登録日 | 2014-07-14 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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4U1G
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![BU of 4u1g by Molmil](/molmil-images/mine/4u1g) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody QA1 | 分子名称: | QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain, Reticulocyte binding protein 5 | 著者 | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | 登録日 | 2014-07-15 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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4U0Q
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![BU of 4u0q by Molmil](/molmil-images/mine/4u0q) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to basigin | 分子名称: | Basigin, Reticulocyte binding protein 5 | 著者 | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | 登録日 | 2014-07-14 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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4RYL
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![BU of 4ryl by Molmil](/molmil-images/mine/4ryl) | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | 分子名称: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | 著者 | 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) | 登録日 | 2014-12-15 | 公開日 | 2015-02-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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4TRH
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![BU of 4trh by Molmil](/molmil-images/mine/4trh) | The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling | 分子名称: | SidC | 著者 | Hsu, F.S, Luo, X, Qiu, J, Teng, Y, Jin, J, Smolka, M.B, Luo, Z.Q, Mao, Y. | 登録日 | 2014-06-16 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling. Proc.Natl.Acad.Sci.USA, 111, 2014
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5T5G
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![BU of 5t5g by Molmil](/molmil-images/mine/5t5g) | human SETD8 in complex with MS2177 | 分子名称: | 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | 著者 | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-08-30 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J. Med. Chem., 59, 2016
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6W6D
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![BU of 6w6d by Molmil](/molmil-images/mine/6w6d) | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor | 分子名称: | (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 | 著者 | 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) | 登録日 | 2020-03-16 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J.Med.Chem., 64, 2021
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8BWU
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![BU of 8bwu by Molmil](/molmil-images/mine/8bwu) | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | 著者 | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | 登録日 | 2022-12-07 | 公開日 | 2023-10-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors. Biorxiv, 2024
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6QPL
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![BU of 6qpl by Molmil](/molmil-images/mine/6qpl) | Crystal structure of Spindlin1 in complex with the inhibitor MS31 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2019-02-14 | 公開日 | 2019-07-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1). J.Med.Chem., 62, 2019
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5ANY
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![BU of 5any by Molmil](/molmil-images/mine/5any) | Electron cryo-microscopy of chikungunya virus in complex with neutralizing antibody Fab CHK265 | 分子名称: | E1, E2, FAB, ... | 著者 | Fox, J.M, Long, F, Edeling, M.A, Lin, H, Duijl-Richter, M, Fong, R.H, Kahle, K.M, Smit, J.M, Jin, J, Simmons, G, Doranz, B.J, Crowe, J.E, Fremont, D.H, Rossmann, M.G, Diamond, M.S. | 登録日 | 2015-09-08 | 公開日 | 2015-11-25 | 最終更新日 | 2018-10-03 | 実験手法 | ELECTRON MICROSCOPY (16.9 Å) | 主引用文献 | Broadly Neutralizing Alphavirus Antibodies Bind an Epitope on E2 and Inhibit Entry and Egress. Cell(Cambridge,Mass.), 163, 2015
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7OCB
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![BU of 7ocb by Molmil](/molmil-images/mine/7ocb) | Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine, CHLORIDE ION, ... | 著者 | Johansson, C, Krojer, T, Park, K, Xiong, Y, Jin, J, Oppermann, U. | 登録日 | 2021-04-26 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B To Be Published
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/5e8r) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | 分子名称: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | 著者 | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-14 | 公開日 | 2015-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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6CHH
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![BU of 6chh by Molmil](/molmil-images/mine/6chh) | Structure of human NNMT in complex with bisubstrate inhibitor MS2756 | 分子名称: | (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL, Nicotinamide N-methyltransferase | 著者 | Babault, N, Liu, J, Jin, J. | 登録日 | 2018-02-22 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT). J. Med. Chem., 61, 2018
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6DRY
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![BU of 6dry by Molmil](/molmil-images/mine/6dry) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | 著者 | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | 登録日 | 2018-06-13 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.918 Å) | 主引用文献 | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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6DRZ
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![BU of 6drz by Molmil](/molmil-images/mine/6drz) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | 著者 | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | 登録日 | 2018-06-13 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | 主引用文献 | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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6DRX
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![BU of 6drx by Molmil](/molmil-images/mine/6drx) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, BRIL chimera, ... | 著者 | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | 登録日 | 2018-06-13 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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6DS0
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![BU of 6ds0 by Molmil](/molmil-images/mine/6ds0) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | 分子名称: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, ... | 著者 | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | 登録日 | 2018-06-13 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.188 Å) | 主引用文献 | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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6BOZ
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![BU of 6boz by Molmil](/molmil-images/mine/6boz) | Structure of human SETD8 in complex with covalent inhibitor MS4138 | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | 著者 | Babault, N, Anqi, M, Jin, J. | 登録日 | 2017-11-21 | 公開日 | 2019-05-01 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8. Elife, 8, 2019
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5V9I
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![BU of 5v9i by Molmil](/molmil-images/mine/5v9i) | Crystal structure of catalytic domain of G9a with MS0105 | 分子名称: | GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ... | 著者 | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2017-03-23 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystal structure of catalytic domain of G9a with MS0105 to be published
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5TH7
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![BU of 5th7 by Molmil](/molmil-images/mine/5th7) | Complex of SETD8 with MS453 | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ... | 著者 | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-29 | 公開日 | 2016-11-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J. Med. Chem., 59, 2016
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3K5K
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![BU of 3k5k by Molmil](/molmil-images/mine/3k5k) | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | 分子名称: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | 著者 | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2009-10-07 | 公開日 | 2009-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. J.Med.Chem., 52, 2009
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5TTF
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![BU of 5ttf by Molmil](/molmil-images/mine/5ttf) | Crystal structure of catalytic domain of G9a with MS012 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ... | 著者 | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-11-03 | 公開日 | 2016-12-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5VSE
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![BU of 5vse by Molmil](/molmil-images/mine/5vse) | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine | 分子名称: | Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ... | 著者 | Babault, N, Xiong, Y, Liu, J, Jin, J. | 登録日 | 2017-05-11 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors. Bioorg. Med. Chem., 25, 2017
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