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5MWJ
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BU of 5mwj by Molmil
Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1
Descriptor: DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor
Authors:McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S.
Deposit date:2017-01-18
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1.
Chemistry, 23, 2017
4XUA
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BU of 4xua by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue
Descriptor: 1,2-ETHANEDIOL, 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-25
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
4XUB
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BU of 4xub by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe
Descriptor: 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-25
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
6CBE
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BU of 6cbe by Molmil
Atomic structure of a rationally engineered gene delivery vector, AAV2.5
Descriptor: Capsid protein VP1
Authors:Burg, M, Rosebrough, C, Drouin, L, Bennett, A, Mietzsch, M, Chipman, P, McKenna, R, Sousa, D, Potter, M, Byrne, B, Kozyreva, O.G, Samulski, R.J, Agbandje-McKenna, M.
Deposit date:2018-02-02
Release date:2018-05-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Atomic structure of a rationally engineered gene delivery vector, AAV2.5.
J. Struct. Biol., 203, 2018
7ZWO
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BU of 7zwo by Molmil
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
7ZWZ
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BU of 7zwz by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 22
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
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 (1.4 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
7ZWU
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BU of 7zwu by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 15
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
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 (1.56 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
7ZWS
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BU of 7zws by Molmil
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
7ZWN
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BU of 7zwn by Molmil
Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Shetty, K, 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 (2.05 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
7ZWR
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BU of 7zwr by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11
Descriptor: 1,2-ETHANEDIOL, 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]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 (1.47 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
7ZWW
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BU of 7zww by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 18
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one, B-cell lymphoma 6 protein
Authors:Rodrigues, M.J, 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 (1.67 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
7ZWP
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BU of 7zwp by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 7
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Shetty, K, 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 (1.85 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
7ZWV
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BU of 7zwv by Molmil
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
7ZWQ
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BU of 7zwq by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 10
Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ...
Authors:Rodrigues, M.J, 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 (1.65 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
7ZWT
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BU of 7zwt by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 14
Descriptor: 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ...
Authors:Gunnell, E.A, 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 (1.94 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
7ZWX
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BU of 7zwx by Molmil
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
7ZWY
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BU of 7zwy by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 21
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Shetty, K, 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 (1.65 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
5LSZ
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BU of 5lsz by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT7
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BU of 5lt7 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSX
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BU of 5lsx by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, ZINC ION, [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSU
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BU of 5lsu by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase NSD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSY
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BU of 5lsy by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT6
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BU of 5lt6 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSS
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BU of 5lss by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT8
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BU of 5lt8 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, SINEFUNGIN, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016

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