7OKH
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![BU of 7okh by Molmil](/molmil-images/mine/7okh) | Crystal structure of human BCL6 BTB domain in complex with compound 8f | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
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3UYH
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![BU of 3uyh by Molmil](/molmil-images/mine/3uyh) | Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide compound, MM41 | Descriptor: | 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2011-12-06 | Release date: | 2013-01-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
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4DA3
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![BU of 4da3 by Molmil](/molmil-images/mine/4da3) | Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound MM41. | Descriptor: | 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2012-01-12 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
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4DAQ
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![BU of 4daq by Molmil](/molmil-images/mine/4daq) | Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound BMSG-SH-3 | Descriptor: | 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2012-01-13 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.754 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
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4E68
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![BU of 4e68 by Molmil](/molmil-images/mine/4e68) | Unphosphorylated STAT3B core protein binding to dsDNA | Descriptor: | DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3 | Authors: | Collie, G.W, Parkinson, G.N, Shah, R. | Deposit date: | 2012-03-15 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography. Febs Lett., 587, 2013
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6TOH
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![BU of 6toh by Molmil](/molmil-images/mine/6toh) | Crystal structure of human BCL6 BTB domain in complex with compound 6 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2019-12-11 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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6TOI
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![BU of 6toi by Molmil](/molmil-images/mine/6toi) | Crystal structure of human BCL6 BTB domain in complex with compound 11f | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2019-12-11 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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6TOO
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![BU of 6too by Molmil](/molmil-images/mine/6too) | Crystal structure of human BCL6 BTB domain in complex with compound 11a | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2019-12-11 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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5J0E
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![BU of 5j0e by Molmil](/molmil-images/mine/5j0e) | Crystal structures of Pribnow box consensus promoter sequence (P32) | Descriptor: | Complementary sequence, Pribnow box consensus promoter sequence, ZINC ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2016-03-28 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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5EYQ
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![BU of 5eyq by Molmil](/molmil-images/mine/5eyq) | Racemic crystal structures of Pribnow box consensus promoter sequence (Pnna) | Descriptor: | Complementary strand, Pribnow box template strand, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | Deposit date: | 2015-11-25 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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5EZF
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![BU of 5ezf by Molmil](/molmil-images/mine/5ezf) | Racemic crystal structures of Pribnow box consensus promoter sequence (Pbca) | Descriptor: | CALCIUM ION, Complementary strand, Pribnow box template strand | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | Deposit date: | 2015-11-26 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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5F26
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![BU of 5f26 by Molmil](/molmil-images/mine/5f26) | Crystal structures of Pribnow box consensus promoter sequence (P63) | Descriptor: | Complementary strand, Pribnow box consensus sequence strand | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | Deposit date: | 2015-12-01 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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5EWB
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![BU of 5ewb by Molmil](/molmil-images/mine/5ewb) | Racemic crystal structures of Pribnow box consensus promoter sequence (P21/c) | Descriptor: | PRIBNOW BOX CONSENSUS SEQUENCE- NON-TEMPLATE STRAND, PRIBNOW BOX CONSENSUS SEQUENCE- TEMPLATE STRAND | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | Deposit date: | 2015-11-20 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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6GN2
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![BU of 6gn2 by Molmil](/molmil-images/mine/6gn2) | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group R3 | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), trimethylamine oxide | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2018-05-29 | Release date: | 2019-09-11 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Racemic crystal structures of A-DNA duplexes. Acta Crystallogr D Struct Biol, 78, 2022
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6GN3
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![BU of 6gn3 by Molmil](/molmil-images/mine/6gn3) | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n | Descriptor: | CHLORIDE ION, COBALT (II) ION, DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), ... | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2018-05-29 | Release date: | 2019-09-11 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Racemic crystal structures of A-DNA duplexes. Acta Crystallogr D Struct Biol, 78, 2022
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4R48
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![BU of 4r48 by Molmil](/molmil-images/mine/4r48) | Racemic crystal structure of a calcium-bound DNA four-way junction | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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4R4D
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![BU of 4r4d by Molmil](/molmil-images/mine/4r4d) | Racemic crystal structure of a magnesium-bound B-DNA duplex | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', MAGNESIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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4R47
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![BU of 4r47 by Molmil](/molmil-images/mine/4r47) | Racemic crystal structure of a bimolecular DNA G-quadruplex (P21/n) | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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4R44
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![BU of 4r44 by Molmil](/molmil-images/mine/4r44) | Racemic crystal structure of a tetramolecular DNA G-quadruplex | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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5ET9
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![BU of 5et9 by Molmil](/molmil-images/mine/5et9) | Racemic crystal structures of Pribnow box consensus promoter sequence (P21/n) | Descriptor: | BARIUM ION, Pribnow box consensus sequence- template strand, Pribnow box non-template strand | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | Deposit date: | 2015-11-17 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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4R45
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![BU of 4r45 by Molmil](/molmil-images/mine/4r45) | Racemic crystal structure of a bimolecular DNA G-quadruplex (P-1) | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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4R4A
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![BU of 4r4a by Molmil](/molmil-images/mine/4r4a) | Racemic crystal structure of a cobalt-bound B-DNA duplex | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', COBALT (II) ION, SPERMINE | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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4R49
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![BU of 4r49 by Molmil](/molmil-images/mine/4r49) | Racemic crystal structure of a calcium-bound B-DNA duplex | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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7NWK
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![BU of 7nwk by Molmil](/molmil-images/mine/7nwk) | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | Authors: | Collie, G.W, Ferguson, A.D. | Deposit date: | 2021-03-16 | Release date: | 2021-10-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
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7OXB
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![BU of 7oxb by Molmil](/molmil-images/mine/7oxb) | |