1CCV
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1DWM
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2GE4
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1LD5
| STRUCTURE OF BPTI MUTANT A16V | Descriptor: | PANCREATIC TRYPSIN INHIBITOR | Authors: | Cierpicki, T, Otlewski, J. | Deposit date: | 2002-04-08 | Release date: | 2002-09-11 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | 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
| STRUCTURE OF BPTI_8A MUTANT | Descriptor: | PANCREATIC TRYPSIN INHIBITOR | Authors: | Cierpicki, T, Otlewski, J. | Deposit date: | 2002-04-08 | Release date: | 2002-09-11 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | 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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2KKF
| Solution structure of MLL CXXC domain in complex with palindromic CPG DNA | Descriptor: | 5'-D(*CP*CP*CP*TP*GP*CP*GP*CP*AP*GP*GP*G)-3', Histone-lysine N-methyltransferase HRX, ZINC ION | Authors: | 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. | Deposit date: | 2009-06-18 | Release date: | 2009-12-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 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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2JYI
| Solution structure of MLL CXXC domain | Descriptor: | ZINC ION, Zinc finger protein HRX | Authors: | Cierpicki, T, Bushweller, J.H. | Deposit date: | 2007-12-13 | Release date: | 2008-12-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 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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7ND1
| First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | Descriptor: | 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, ... | Authors: | Cierpicki, T, Lund, G, Jaremko, L. | Deposit date: | 2021-01-29 | Release date: | 2021-06-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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2MTN
| Solution structure of MLL-IBD complex | Descriptor: | Histone-lysine N-methyltransferase 2A, PC4 and SFRS1-interacting protein fusion | Authors: | Cierpicki, T, Pollock, J, Murai, M. | Deposit date: | 2014-08-23 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | 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
| ULD complex | Descriptor: | Polycomb complex protein BMI-1, Polyhomeotic-like 2 | Authors: | Cierpicki, T, Gray, F, Cho, H. | Deposit date: | 2015-12-17 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | BMI1 regulates PRC1 architecture and activity through homo- and hetero-oligomerization. Nat Commun, 7, 2016
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7T58
| Crystal structure of Miz1 BTB domain | Descriptor: | DIMETHYL SULFOXIDE, Zinc finger and BTB domain-containing protein 17 | Authors: | Linhares, B.M, Cierpicki, T. | Deposit date: | 2021-12-11 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05333114 Å) | Cite: | Prediction of BTB domain ligandability guided by protein dynamics To Be Published
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4X5Y
| Menin in complex with MI-503 | Descriptor: | 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, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2014-12-06 | Release date: | 2015-04-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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6O5I
| Menin in complex with MI-3454 | Descriptor: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | Authors: | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | Deposit date: | 2019-03-03 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.24025619 Å) | Cite: | 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
| Menin in complex with peptide inhibitor 25 | Descriptor: | DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ... | Authors: | Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L. | Deposit date: | 2019-04-25 | Release date: | 2020-09-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5006572 Å) | Cite: | 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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5VNA
| Crystal structure of human YEATS domain | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SULFATE ION, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2017-04-29 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode. ACS Chem. Biol., 13, 2018
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5FR6
| The structure of polycomb ULD complex | Descriptor: | POLYCOMB COMPLEX PROTEIN BMI-1 | Authors: | Gray, F, Cho, H.J, Cierpicki, T. | Deposit date: | 2015-12-15 | Release date: | 2016-11-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Bmi1 Regulates Prc1 Architecture and Activity Through Homo-and Hetero-Oligomerization Nat.Commun., 7, 2016
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4OG6
| Human menin with bound inhibitor MIV-4 | Descriptor: | 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | 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
| Human menin with bound inhibitor MIV-7 | Descriptor: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | 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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5VNB
| YEATS in complex with histone H3 | Descriptor: | 1,2-ETHANEDIOL, H3K23acK27ac peptide, SULFATE ION, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2017-04-29 | Release date: | 2018-09-05 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode. ACS Chem. Biol., 13, 2018
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7JFY
| GAS41 YEATS domain in complex with 5 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, N-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide, ... | Authors: | Linhares, B.M, Listunov, D, Winkler, A, Grembecka, J, Cierpicki, T. | Deposit date: | 2020-07-17 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.100557 Å) | Cite: | GAS41 YEATS domain in complex with 5 To Be Published
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6KQQ
| NSD1 SET domain in complex with BT3 and SAM | Descriptor: | 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, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2019-08-18 | Release date: | 2020-09-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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6KQP
| NSD1 SET domain in complex with SAM | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2019-08-18 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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1MJD
| Structure of N-terminal domain of human doublecortin | Descriptor: | DOUBLECORTIN | Authors: | Kim, M.H, Cierpicki, T, Derewenda, U, Krowarsch, D, Feng, Y, Devedjiev, Y, Dauter, Z, Walsh, C.A, Otlewski, J, Bushweller, J.H, Derewenda, Z.S. | Deposit date: | 2002-08-27 | Release date: | 2003-04-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The DCX-domain Tandems of Doublecortin and Doublecortin-like Kinase Nat.Struct.Biol., 10, 2003
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4WH7
| Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ... | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | Deposit date: | 2014-09-20 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction. Acs Chem.Biol., 10, 2015
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4WH9
| Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | Descriptor: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | Deposit date: | 2014-09-20 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction. Acs Chem.Biol., 10, 2015
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