4X5Y
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![BU of 4x5y by Molmil](/molmil-images/mine/4x5y) | Menin in complex with MI-503 | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ... | 著者 | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | 登録日 | 2014-12-06 | 公開日 | 2015-04-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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4X5Z
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![BU of 4x5z by Molmil](/molmil-images/mine/4x5z) | menin in complex with MI-136 | 分子名称: | 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | 登録日 | 2014-12-06 | 公開日 | 2015-04-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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5DDB
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![BU of 5ddb by Molmil](/molmil-images/mine/5ddb) | Menin in complex with MI-319 | 分子名称: | 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDC
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![BU of 5ddc by Molmil](/molmil-images/mine/5ddc) | Menin in complex with MI-2-3 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDA
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![BU of 5dda by Molmil](/molmil-images/mine/5dda) | Menin in complex with MI-333 | 分子名称: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDF
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![BU of 5ddf by Molmil](/molmil-images/mine/5ddf) | Menin in complex with MI-273 | 分子名称: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DB3
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![BU of 5db3 by Molmil](/molmil-images/mine/5db3) | Menin in complex with MI-574 | 分子名称: | 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-20 | 公開日 | 2016-03-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DDD
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![BU of 5ddd by Molmil](/molmil-images/mine/5ddd) | menin in complex with MI-836 | 分子名称: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DB1
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![BU of 5db1 by Molmil](/molmil-images/mine/5db1) | Menin in complex with MI-336 | 分子名称: | 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-20 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DB2
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![BU of 5db2 by Molmil](/molmil-images/mine/5db2) | Menin in complex with MI-389 | 分子名称: | 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-20 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DDE
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![BU of 5dde by Molmil](/molmil-images/mine/5dde) | Menin in complex with MI-859 | 分子名称: | 1,2-ETHANEDIOL, 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DB0
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![BU of 5db0 by Molmil](/molmil-images/mine/5db0) | Menin in complex with MI-352 | 分子名称: | 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-20 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DD9
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![BU of 5dd9 by Molmil](/molmil-images/mine/5dd9) | Menin in complex with MI-326 | 分子名称: | 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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2MTN
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![BU of 2mtn by Molmil](/molmil-images/mine/2mtn) | Solution structure of MLL-IBD complex | 分子名称: | Histone-lysine N-methyltransferase 2A, PC4 and SFRS1-interacting protein fusion | 著者 | Cierpicki, T, Pollock, J, Murai, M. | 登録日 | 2014-08-23 | 公開日 | 2014-12-03 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | The same site on the integrase-binding domain of lens epithelium-derived growth factor is a therapeutic target for MLL leukemia and HIV. Blood, 124, 2014
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6BXY
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![BU of 6bxy by Molmil](/molmil-images/mine/6bxy) | Menin in complex with MI-1481 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-19 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
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6BY8
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![BU of 6by8 by Molmil](/molmil-images/mine/6by8) | Menin in complex with MI-1482 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-20 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
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4OG4
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![BU of 4og4 by Molmil](/molmil-images/mine/4og4) | Human menin with bound inhibitor MIV-3S | 分子名称: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | 登録日 | 2014-01-15 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OG3
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![BU of 4og3 by Molmil](/molmil-images/mine/4og3) | Human menin with bound inhibitor MIV-3R | 分子名称: | 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | 登録日 | 2014-01-15 | 公開日 | 2014-03-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OG6
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![BU of 4og6 by Molmil](/molmil-images/mine/4og6) | Human menin with bound inhibitor MIV-4 | 分子名称: | 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | 登録日 | 2014-01-15 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OG7
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![BU of 4og7 by Molmil](/molmil-images/mine/4og7) | Human menin with bound inhibitor MIV-7 | 分子名称: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | 登録日 | 2014-01-15 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OG5
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![BU of 4og5 by Molmil](/molmil-images/mine/4og5) | Human menin with bound inhibitor MIV-5 | 分子名称: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | 登録日 | 2014-01-15 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OG8
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![BU of 4og8 by Molmil](/molmil-images/mine/4og8) | Human menin with bound inhibitor MIV-6R | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | 登録日 | 2014-01-15 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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6BXH
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![BU of 6bxh by Molmil](/molmil-images/mine/6bxh) | Menin in complex with MI-853 | 分子名称: | 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ... | 著者 | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-18 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | 主引用文献 | Menin in complex with MI-853 To Be Published
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4PPS
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![BU of 4pps by Molmil](/molmil-images/mine/4pps) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative | 分子名称: | (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | 登録日 | 2014-02-27 | 公開日 | 2014-05-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.929 Å) | 主引用文献 | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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4PPP
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4ppp by Molmil](/molmil-images/mine/4ppp) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol | 分子名称: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | 登録日 | 2014-02-27 | 公開日 | 2014-05-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.686 Å) | 主引用文献 | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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