7ZWS
 
 | | Crystal structure of human BCL6 BTB domain in complex with compound 13 | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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7ZWO
 | | Crystal structure of human BCL6 BTB domain in complex with compound 2 | | Descriptor: | (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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7ZWX
 | | Crystal structure of human BCL6 BTB domain in complex with compound 19 | | Descriptor: | 1,2-ETHANEDIOL, 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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7ZWV
 | | Crystal structure of human BCL6 BTB domain in complex with compound 17 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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3QCR
 | | Incomplete structural model of a human telomeric DNA quadruplex-acridine complex. | | Descriptor: | Human telomeric repeat deoxyribonucleic acid, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION | | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | | Deposit date: | 2011-01-17 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
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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
 | | 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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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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7B42
 | | Crystal structure of c-MET bound by compound 8 | | Descriptor: | 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3W
 | | Crystal structure of c-MET bound by compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B43
 | | Crystal structure of c-MET bound by compound 9 | | Descriptor: | 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3Q
 | | Crystal structure of c-MET bound by compound 1 | | Descriptor: | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one, Hepatocyte growth factor receptor, SULFATE ION | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B40
 | | Crystal structure of c-MET bound by compound 6 | | Descriptor: | 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3Z
 | | Crystal structure of c-MET bound by compound 5 | | Descriptor: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3V
 | | Crystal structure of c-MET bound by compound 3 | | Descriptor: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B44
 | | Crystal structure of c-MET bound by compound S1 | | Descriptor: | 5-methoxy-1~{H}-indazole, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor, ... | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3T
 | | Crystal structure of c-MET bound by compound 2 | | Descriptor: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Hepatocyte growth factor receptor, ... | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B41
 | | Crystal structure of c-MET bound by compound 7 | | Descriptor: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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3IBK
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6SD9
 | | Crystal structure of wild-type cMET bound by foretinib | | Descriptor: | CHLORIDE ION, Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDC
 | | Crystal structure of D1228V cMET bound by foretinib | | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDD
 | | Crystal structure of D1228V cMET bound by BMS-777607 | | Descriptor: | GLYCEROL, Hepatocyte growth factor receptor, N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDE
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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
 | | 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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