1BWM
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![BU of 1bwm by Molmil](/molmil-images/mine/1bwm) | A SINGLE-CHAIN T CELL RECEPTOR | Descriptor: | PROTEIN (ALPHA-BETA T CELL RECEPTOR (TCR) (D10)) | Authors: | Hare, B.J, Wyss, D.F, Reinherz, E.L, Wagner, G. | Deposit date: | 1998-09-23 | Release date: | 1999-07-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure, specificity and CDR mobility of a class II restricted single-chain T-cell receptor. Nat.Struct.Biol., 6, 1999
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6O5I
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![BU of 6o5i by Molmil](/molmil-images/mine/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
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![BU of 6opj by Molmil](/molmil-images/mine/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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6C3N
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![BU of 6c3n by Molmil](/molmil-images/mine/6c3n) | Crystal structure of BCL6 BTB domain in complex with compound 7CC5 | Descriptor: | B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea | Authors: | Linhares, B, Cheng, H, Xue, F, Cierpicki, T. | Deposit date: | 2018-01-10 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53170586 Å) | Cite: | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design. J.Med.Chem., 61, 2018
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7T58
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![BU of 7t58 by Molmil](/molmil-images/mine/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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6C3L
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![BU of 6c3l by Molmil](/molmil-images/mine/6c3l) | Crystal structure of BCL6 BTB domain with compound 15f | Descriptor: | B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea | Authors: | Linhares, B, Cheng, H, Cierpicki, T, Xue, F. | Deposit date: | 2018-01-10 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.46092153 Å) | Cite: | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design. J.Med.Chem., 61, 2018
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5V5H
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![BU of 5v5h by Molmil](/molmil-images/mine/5v5h) | |
6CQ1
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![BU of 6cq1 by Molmil](/molmil-images/mine/6cq1) | BCL6 BTB domain in complex with 15a | Descriptor: | 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide, B-cell lymphoma 6 protein | Authors: | Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T. | Deposit date: | 2018-03-14 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69921041 Å) | Cite: | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design. J.Med.Chem., 61, 2018
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5V5G
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![BU of 5v5g by Molmil](/molmil-images/mine/5v5g) | |
5V5I
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![BU of 5v5i by Molmil](/molmil-images/mine/5v5i) | |
7LCH
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![BU of 7lch by Molmil](/molmil-images/mine/7lch) | The mature Usutu SAAR-1776, Model B | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | Authors: | Khare, B, Klose, T, Fang, Q, Kuhn, R. | Deposit date: | 2021-01-11 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LCG
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![BU of 7lcg by Molmil](/molmil-images/mine/7lcg) | The mature Usutu SAAR-1776, Model A | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | Authors: | Khare, B, Klose, T, Fang, Q, Kuhn, R. | Deposit date: | 2021-01-11 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry. Proc.Natl.Acad.Sci.USA, 118, 2021
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3TBE
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![BU of 3tbe by Molmil](/molmil-images/mine/3tbe) | |
3RCC
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![BU of 3rcc by Molmil](/molmil-images/mine/3rcc) | |
3RBK
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![BU of 3rbk by Molmil](/molmil-images/mine/3rbk) | |
3RBI
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![BU of 3rbi by Molmil](/molmil-images/mine/3rbi) | |
7JFY
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![BU of 7jfy by Molmil](/molmil-images/mine/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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3TB7
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![BU of 3tb7 by Molmil](/molmil-images/mine/3tb7) | |
3RBJ
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![BU of 3rbj by Molmil](/molmil-images/mine/3rbj) | |
1YI3
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![BU of 1yi3 by Molmil](/molmil-images/mine/1yi3) | Crystal Structure of Pim-1 bound to LY294002 | Descriptor: | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-11 | Release date: | 2005-01-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
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1YI4
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![BU of 1yi4 by Molmil](/molmil-images/mine/1yi4) | Structure of Pim-1 bound to adenosine | Descriptor: | ADENOSINE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-11 | Release date: | 2005-01-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
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1YHS
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![BU of 1yhs by Molmil](/molmil-images/mine/1yhs) | Crystal structure of Pim-1 bound to staurosporine | Descriptor: | Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-10 | Release date: | 2005-01-25 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
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1D9K
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![BU of 1d9k by Molmil](/molmil-images/mine/1d9k) | CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ... | Authors: | Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H. | Deposit date: | 1999-10-28 | Release date: | 1999-12-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of a T cell receptor in complex with peptide and MHC class II. Science, 286, 1999
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1JJS
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![BU of 1jjs by Molmil](/molmil-images/mine/1jjs) | NMR Structure of IBiD, A Domain of CBP/p300 | Descriptor: | CREB-BINDING PROTEIN | Authors: | Lin, C.H, Hare, B.J, Wagner, G, Harrison, S.C, Maniatis, T, Fraenkel, E. | Deposit date: | 2001-07-09 | Release date: | 2001-10-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A small domain of CBP/p300 binds diverse proteins: solution structure and functional studies. Mol.Cell, 8, 2001
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1HBW
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![BU of 1hbw by Molmil](/molmil-images/mine/1hbw) | Solution nmr structure of the dimerization domain of the yeast transcriptional activator Gal4 (residues 50-106) | Descriptor: | REGULATORY PROTEIN GAL4 | Authors: | Hidalgo, P, Ansari, A.Z, Schmidt, P, Hare, B, Simkovic, N, Farrell, S, Shin, E.J, Ptashne, M, Wagner, G. | Deposit date: | 2001-04-20 | Release date: | 2001-05-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Recruitment of the Transcriptional Machinery Through Gal11P: Structure and Interactions of the GAL4 Dimerization Domain Genes Dev., 15, 2001
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