7ND1
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![BU of 7nd1 by Molmil](/molmil-images/mine/7nd1) | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | 分子名称: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | 著者 | Cierpicki, T, Lund, G, Jaremko, L. | 登録日 | 2021-01-29 | 公開日 | 2021-06-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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1CCV
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![BU of 1ccv by Molmil](/molmil-images/mine/1ccv) | |
1DWM
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1LD5
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![BU of 1ld5 by Molmil](/molmil-images/mine/1ld5) | STRUCTURE OF BPTI MUTANT A16V | 分子名称: | PANCREATIC TRYPSIN INHIBITOR | 著者 | Cierpicki, T, Otlewski, J. | 登録日 | 2002-04-08 | 公開日 | 2002-09-11 | 最終更新日 | 2021-10-27 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability. J.Mol.Biol., 321, 2002
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1LD6
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![BU of 1ld6 by Molmil](/molmil-images/mine/1ld6) | STRUCTURE OF BPTI_8A MUTANT | 分子名称: | PANCREATIC TRYPSIN INHIBITOR | 著者 | Cierpicki, T, Otlewski, J. | 登録日 | 2002-04-08 | 公開日 | 2002-09-11 | 最終更新日 | 2021-10-27 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability. J.Mol.Biol., 321, 2002
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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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2NA1
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![BU of 2na1 by Molmil](/molmil-images/mine/2na1) | ULD complex | 分子名称: | Polycomb complex protein BMI-1, Polyhomeotic-like 2 | 著者 | Cierpicki, T, Gray, F, Cho, H. | 登録日 | 2015-12-17 | 公開日 | 2016-11-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | BMI1 regulates PRC1 architecture and activity through homo- and hetero-oligomerization. Nat Commun, 7, 2016
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2JYI
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![BU of 2jyi by Molmil](/molmil-images/mine/2jyi) | Solution structure of MLL CXXC domain | 分子名称: | ZINC ION, Zinc finger protein HRX | 著者 | Cierpicki, T, Bushweller, J.H. | 登録日 | 2007-12-13 | 公開日 | 2008-12-09 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for maintenance of unmethylated CpG elements by the CXXC domain of MLL and its critical contributions to MLL-AF9 immortalization activity To be Published
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2KKF
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![BU of 2kkf by Molmil](/molmil-images/mine/2kkf) | Solution structure of MLL CXXC domain in complex with palindromic CPG DNA | 分子名称: | 5'-D(*CP*CP*CP*TP*GP*CP*GP*CP*AP*GP*GP*G)-3', Histone-lysine N-methyltransferase HRX, ZINC ION | 著者 | Cierpicki, T, Riesbeck, J.E, Grembecka, J.E, Lukasik, S.M, Popovic, R, Omonkowska, M, Shultis, D.S, Zeleznik-Le, N.J, Bushweller, J.H. | 登録日 | 2009-06-18 | 公開日 | 2009-12-08 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the MLL CXXC domain-DNA complex and its functional role in MLL-AF9 leukemia. Nat.Struct.Mol.Biol., 17, 2010
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2GE4
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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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4GQ3
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![BU of 4gq3 by Molmil](/molmil-images/mine/4gq3) | 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
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4GQ4
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![BU of 4gq4 by Molmil](/molmil-images/mine/4gq4) | 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
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4GQ6
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![BU of 4gq6 by Molmil](/molmil-images/mine/4gq6) | 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
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7T58
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4GPQ
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![BU of 4gpq by Molmil](/molmil-images/mine/4gpq) | 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
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4WH9
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![BU of 4wh9 by Molmil](/molmil-images/mine/4wh9) | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | 分子名称: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | 著者 | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | 登録日 | 2014-09-20 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction. Acs Chem.Biol., 10, 2015
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4WH7
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![BU of 4wh7 by Molmil](/molmil-images/mine/4wh7) | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand | 分子名称: | 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ... | 著者 | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | 登録日 | 2014-09-20 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction. Acs Chem.Biol., 10, 2015
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6O5I
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![BU of 6o5i by Molmil](/molmil-images/mine/6o5i) | Menin in complex with MI-3454 | 分子名称: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | 著者 | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | 登録日 | 2019-03-03 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.24025619 Å) | 主引用文献 | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J.Clin.Invest., 130, 2020
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6OPJ
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![BU of 6opj by Molmil](/molmil-images/mine/6opj) | Menin in complex with peptide inhibitor 25 | 分子名称: | DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ... | 著者 | Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L. | 登録日 | 2019-04-25 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5006572 Å) | 主引用文献 | Covalent and noncovalent constraints yield a figure eight-like conformation of a peptide inhibiting the menin-MLL interaction. Eur.J.Med.Chem., 207, 2020
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1YBO
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![BU of 1ybo by Molmil](/molmil-images/mine/1ybo) | Crystal structure of the PDZ tandem of human syntenin with syndecan peptide | 分子名称: | Syndecan-4, Syntenin 1 | 著者 | Grembecka, J, Cooper, D.R, Cierpicki, T, Kang, B.S, Devedjiev, Y, Derewenda, Z. | 登録日 | 2004-12-21 | 公開日 | 2006-01-10 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The binding of the PDZ tandem of syntenin to target proteins Biochemistry, 45, 2006
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5FR6
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![BU of 5fr6 by Molmil](/molmil-images/mine/5fr6) | |
7JFY
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![BU of 7jfy by Molmil](/molmil-images/mine/7jfy) | GAS41 YEATS domain in complex with 5 | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, N-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide, ... | 著者 | Linhares, B.M, Listunov, D, Winkler, A, Grembecka, J, Cierpicki, T. | 登録日 | 2020-07-17 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.100557 Å) | 主引用文献 | GAS41 YEATS domain in complex with 5 To Be Published
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6KQQ
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![BU of 6kqq by Molmil](/molmil-images/mine/6kqq) | NSD1 SET domain in complex with BT3 and SAM | 分子名称: | 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol, 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol, CALCIUM ION, ... | 著者 | Cho, H.J, Cierpicki, T. | 登録日 | 2019-08-18 | 公開日 | 2020-09-02 | 最終更新日 | 2022-03-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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6KQP
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![BU of 6kqp by Molmil](/molmil-images/mine/6kqp) | NSD1 SET domain in complex with SAM | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ... | 著者 | Cho, H.J, Cierpicki, T. | 登録日 | 2019-08-18 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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