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4GQ3
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BU of 4gq3 by Molmil
Human menin with bound inhibitor MI-2
分子名称: 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, Menin, ...
著者Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
登録日2012-08-22
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GQ4
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BU of 4gq4 by Molmil
Human menin with bound inhibitor MI-2-2
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, ...
著者Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
登録日2012-08-22
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GQ6
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BU of 4gq6 by Molmil
Human menin in complex with MLL peptide
分子名称: Histone-lysine N-methyltransferase MLL, Menin, PENTAETHYLENE GLYCOL, ...
著者Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
登録日2012-08-22
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GPQ
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BU of 4gpq by Molmil
Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Menin, ...
著者Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
登録日2012-08-21
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
5DDB
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BU of 5ddb by Molmil
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
5DDC
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BU of 5ddc by Molmil
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
5DDA
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BU of 5dda by Molmil
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
5DDF
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BU of 5ddf by Molmil
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
5DB0
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BU of 5db0 by Molmil
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
5DD9
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BU of 5dd9 by Molmil
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
5DB3
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BU of 5db3 by Molmil
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
5DDD
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BU of 5ddd by Molmil
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
5DB2
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BU of 5db2 by Molmil
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
5DDE
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BU of 5dde by Molmil
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
5DB1
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BU of 5db1 by Molmil
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
2KC6
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BU of 2kc6 by Molmil
NMR solution structure of the pheromone En-1 of Euplotes nobilii at -1.5 C
分子名称: Mating pheromone En-1
著者Pedrini, B, Alimenti, C, Vallesi, A, Luporini, P, Wuthrich, K.
登録日2008-12-17
公開日2009-08-04
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Molecular cold-adaptation: Comparative analysis of two homologous families of psychrophilic and mesophilic signal proteins of the protozoan ciliate, Euplotes.
Iubmb Life, 61, 2009
2NSV
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BU of 2nsv by Molmil
NMR Solution Structure of the Pheromone En-1
分子名称: Mating pheromone En-1
著者Placzek, W.J, Etezady-Esfarjani, T, Herrmann, T, Peti, W, Wuthrich, K.
登録日2006-11-06
公開日2007-08-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR Solution Structures of the Pheromones En-1 and En-2 from the Antarctic Ciliated Protozoan Euplotes Nobilii
To be Published
8GPN
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BU of 8gpn by Molmil
Human menin in complex with H3K79Me2 nucleosome
分子名称: DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D.
登録日2022-08-26
公開日2023-02-15
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Menin "reads" H3K79me2 mark in a nucleosomal context.
Science, 379, 2023
8PXX
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BU of 8pxx by Molmil
Structure of the WW domain tandem of PRPF40A in complex with SF1
分子名称: Pre-mRNA-processing factor 40 homolog A, Splicing factor 1
著者Martinez-Lumbreras, S, Sattler, M.
登録日2023-07-24
公開日2024-04-03
実験手法SOLUTION NMR
主引用文献Intramolecular autoinhibition regulates the selectivity of PRPF40A tandem WW domains for proline rich motifs
To Be Published
6S2K
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BU of 6s2k by Molmil
Human Menin in complex with AJ21
分子名称: Multiple endocrine neoplasia I, isoform CRA_b, ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
著者Groves, M.R, Gao, K.
登録日2019-06-21
公開日2021-01-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Human Menin in complex with AJ21
To Be Published
3RE2
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BU of 3re2 by Molmil
Crystal structure of menin reveals the binding site for Mixed Lineage Leukemia (MLL) protein
分子名称: GLYCEROL, Predicted protein
著者Murai, M.J, Chruszcz, M, Reddy, G, Grembecka, J, Cierpicki, T.
登録日2011-04-02
公開日2011-07-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Menin Reveals Binding Site for Mixed Lineage Leukemia (MLL) Protein.
J.Biol.Chem., 286, 2011
7VH9
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BU of 7vh9 by Molmil
Solution structure of the chimeric peptide of the first SURP domain of Human SF3A1 and the interacting region of SF1.
分子名称: Splicing factor 3A subunit 1,Splicing factor 1
著者Muto, Y, Kuwasako, K, Takizawa, M, Kobayashi, N, Sakamoto, T.
登録日2021-09-21
公開日2022-09-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for the interaction between the first SURP domain of the SF3A1 subunit in U2 snRNP and the human splicing factor SF1.
Protein Sci., 31, 2022
7VPX
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BU of 7vpx by Molmil
The cryo-EM structure of the human pre-A complex
分子名称: 5SS, DnaJ homolog subfamily C member 8, PHD finger-like domain-containing protein 5A, ...
著者Zhang, X, Zhan, X, Shi, Y.
登録日2021-10-18
公開日2023-05-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanism for Branch Site Recognition and Proofreading During Prespliceosome Assembly
To Be Published
7O9T
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BU of 7o9t by Molmil
Crystal structure of Human Menin in apo form
分子名称: 1,2-ETHANEDIOL, Menin
著者Groves, M.R, Gao, K.
登録日2021-04-17
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.159 Å)
主引用文献Crystal structure of Human Menin in apo form
To Be Published
7O9X
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BU of 7o9x by Molmil
Crystal structure of Human Menin with fragment 16
分子名称: (2-methoxyphenyl)methanamine, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Groves, M.R, Gao, K.
登録日2021-04-17
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Crystal structure of Human Menin with fragment 16
To Be Published

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